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N,N-Diethylethylenediamine

HCID 60993
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
100-36-7
Standard SMILES
CCN(CC)CCN
InChIKey
UDGSVBYJWHOHNN-UHFFFAOYSA-N
Molecular formula
C6H16N2
Average molar mass
116.2 g/mol
Monoisotopic mass
116.13134852

Names & identifiers

Preferred name
N,N-Diethylethylenediamine
IUPAC
N',N'-diethylethane-1,2-diamine
English name
N,N-Diethylethylenediamine
Molecular formula
C6H16N2
Molecular weight
116.2

Names & synonyms

N,N-Diethylethylenediamine100-36-7(Diethylamino)ethylamino2-AminoethyldiethylamineN,N-Diethyl-1,2-diaminoethaneDTXSID70576061,2-Ethanediamine, N1,N1-diethyl-859V6OK12YNSC-19675DTXCID5031395RefChem:822330202-844-7
Show more names
DEEDADEAEAdiethylethylenediamineusafam-1RARECHEM AL BW 01992-AminotriethylamineN,N-DiethylethylenedBromopride Impurity D
2-(Diethylamino)ethylamineN,N-diethylethane-1,2-diamineN,N-Diethyl-1,2-ethanediamine(2-Aminoethyl)Diethylamine2-DiethylaminoethylamineUSAF AM-1N',N'-diethylethane-1,2-diamineN,N-Diethylethanediamine

Database identifiers

CAS
100-36-7
PubChem CID
60993
DTXSID
DTXSID7057606
ChEMBL
CHEMBL52701
UNII
859V6OK12Y
EC Number
202-844-7
Nikkaji
J25.753B

Properties

Computed structural propertiesFilling in

XLogP
0.2
Topological polar surface area
29.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
8
Formal charge
0
Complexity
41

Experimental & physicochemical properties

Vapor Pressure2.97 [mmHg]
Physical Description · 2 items

Liquid

Colorless liquid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
-70 °C · -70 °C
Boiling point
146 °C · 146 °C
Density
0.82 · 0.82
vapor pressure
5.33 hPa · 5.33hPa at 20℃
refractive index
1.44 · 1.44
Flash point
40 °C · 40 °C
storage temp.
30 °C · Store below +30°C.
solubility
soluble in Methanol, Water
pka
1 · pK1:7.70(+2);pK2:10.46(+1) (25°C)
form
clear liquid
color
Colorless to Light yellow

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 6 items

Danger

H226 (98.8%): Flammable liquid and vapor [Warning Flammable liquids];H302 (69.6%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (96.3%): Toxic in contact with skin [Danger Acute toxicity, dermal];H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (70.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H332 (26.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 161 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 4 items

Chemical: 1,2-Ethanediamine, N,N-diethyl-

1,2-Ethanediamine, N1,N1-diethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Ethanediamine, N1,N1-diethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 18-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11713

2-Aminoethyldiethylamine: Does not have an individual approval but may be used under an appropriate group standard

Fire Hazards

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 219,120 lb;2022: 308,000 lb;2021: 352,255 lb;2020: 308,000 lb
Industry UsesChemical reaction regulator
General Manufacturing Information · 2 items

Plastics Product Manufacturing

1,2-Ethanediamine, N1,N1-diethyl-: ACTIVE

Applications · 2 items

UsesN,N-Diethylethylenediamine was used in the oxidative amidation of hydrogen phosphonate diesters in the synthesis of oligonucleotides. It is also used to develop melanin targeted PET and single-photon emission computed tomography (SPECT) imaging agents for melanoma.

UsesN,N-Diethylethylenediamine is used in the syntheses of anti-malarials. In addition, it has been seem to induce apoptosis through a caspase-3 dependent pathway.

Upstream & downstream products

Upstream raw materials

AminoacetonitrileAcrylonitrile

Downstream products

sapamine CHsoftener BCH2-Aminoethyl(ethyl)amineetonitazeneCamylofine dihydrochlorideTiaprideN-t-Boc-pyrrole

Related reactions

401 records
New reaction record
HRID 3445 reaction equation
HRID 3445As reactantuspto-grants-1998_03
HRID 4217 reaction equation
HRID 4217As reactantuspto-grants-1988_02
HRID 4219 reaction equation
HRID 4219As reactantuspto-grants-1988_02
HRID 4223 reaction equation
HRID 4223As reactantuspto-grants-1988_02
HRID 4224 reaction equation
HRID 4224As reactantuspto-grants-1988_02
HRID 4227 reaction equation
HRID 4227As reactantuspto-grants-1988_02
HRID 4229 reaction equation
HRID 4229As reactantuspto-grants-1988_02
HRID 4230 reaction equation
HRID 4230As reactantuspto-grants-1988_02
Page 1 of 51

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Odor
Foul odor
explosive limit
0.7 · 0.7-8.4%(V)
Water Solubility
MISCIBLE
Sensitive
Air Sensitive
BRN
605299 · 605299
InChI
1S/C6H16N2/c1-3-8(4-2)6-5-7/h3-7H2,1-2H3
InChIKey
PQZTVWVYCLIIJY-UHFFFAOYSA-N
SMILES
CCN(CC)CCN
LogP
0.1 at · 0.1 at 25℃
CAS DataBase Reference
100 · 100-36-7(CAS DataBase Reference)
EWG's Food Scores
1 · 1-2
FDA UNII
859 V6OK12Y · 859V6OK12Y
NIST Chemistry Reference
1 · 1,2-Ethanediamine, N,N-diethyl-(100-36-7)
EPA Substance Registry System
N,N-Diethylethylenediamine (100-36-7)
UNSPSC Code
41116107 · 41116107
NACRES
24 · NA.24
Symbol(GHS)
2 · GHS02,GHS05,GHS06
Signal word
Danger
Hazard statements
311 · H311-H303-H314-H226
Precautionary statements
501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P312-P361+P364-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes
C,Xi
Risk Statements
10 · 10-20/21/22-35-21-36/37/38-34
Safety Statements
26 · 26-36/37/39-45-25-16-36-27
RIDADR
2685 · UN 2685
WGK Germany
1 · 1
RTECS
3500000 · KV3500000
Autoignition Temperature
245 °C · 245 °C
TSCA
TSCA listed
HazardClass
8 · 8
PackingGroup
II
HS Code
29212900 · 29212900
Storage Class
3 · 3 - Flammable liquids
Hazard Classifications
3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 4 InhalationFlam. Liq. 3Skin Corr. 1A
Toxicity
50 orally · LD50 orally in Rabbit: 984 mg/kg LD50 dermal Rabbit 820 mg/kg
REACH Registrations
Active
Limited Quantities
1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities
Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
· 1 item

· Flammable/combustible material.;· May be ignited by heat, sparks or flames.;· Vapors may form explosive mixtures with air.;· Vapors may travel to source of ignition and flash back.;· Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.).;· Vapor explosion hazard indoors, outdoors or in sewers.;· Those substances designated with a (P) may polymerize explosively when heated or involved in a fire.;· Runoff to sewer may create fire or explosion hazard.;· Containers may explode when heated.;· Many liquids will float on water.

Health Hazards · 1 item

· May cause toxic effects if inhaled or ingested.;· Contact with substance may cause severe burns to skin and eyes.;· Fire will produce irritating, corrosive and/or toxic gases.;· Vapors may cause dizziness or asphyxiation, especially when in closed or confined areas.;· Runoff from fire control or dilution water may cause environmental contamination.

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by skin contact; [Alfa Aesar MSDS]
DOT ID and Guide2685 132
DOT Hazard Classification · 6 items

N,N-Diethylethylenediamine

UN2685

Class 8 Corrosive material (49 eCFR § 173.136)

Class 8 Corrosive material (49 eCFR § 173.136);Class 3 Flammable and combustible liquid (49 eCFR § 173.120)

PG II: the degree of danger presented by the material is medium;For more information about the packing group assignment, please visit 49 eCFR § 173

Hazard Classes and Categories · 2 items

Flam. Liq. 3 (98.8%);Acute Tox. 4 (69.6%);Acute Tox. 3 (96.3%);Skin Corr. 1B (100%);Eye Dam. 1 (70.2%);Acute Tox. 4 (26.1%)

Flammable liquids - Category 3;Acute toxicity (Dermal) - Category 3;Skin corrosion/irritation - Category 1;Serious eye damage/eye irritation - Category 1

Safety & protection

Accidental Release Measures · 2 items

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.;· Keep unauthorized personnel away.;· Stay upwind, uphill and/or upstream.;· Ventilate closed spaces before entering, but only if properly trained and equipped.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.;· All equipment used when handling the product must be grounded.;· Do not touch or walk through spilled material.;· Stop leak if you can do it without risk.;· Prevent entry into waterways, sewers, basements or confined areas.;· A vapor-suppressing foam may be used to reduce vapors.;· Absorb with earth, sand or other non-combustible material.;· For hydrazine, absorb with DRY sand or inert absorbent (vermiculite or absorbent pads).;· Use clean, non-sparking tools to collect absorbed material.;Large Spill;· Dike far ahead of liquid spill for later disposal.;· Water spray may reduce vapor, but may not prevent ignition in closed spaces.

First Aid · 1 item

General First Aid:;· Call 911 or emergency medical service.;· Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination.;· Move victim to fresh air if it can be done safely.;· Administer oxygen if breathing is difficult.;· If victim is not breathing:;-- DO NOT perform mouth-to-mouth resuscitation; the victim may have ingested or inhaled the substance.;-- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped with a one-way valve or other device).;-- If no pulse detected or no respiratory medical device available, provide continuous compressions. Conduct a pulse check every two minutes or monitor for any signs of spontaneous respirations.;· Remove and isolate contaminated clothing and shoes.;· For minor skin contact, avoid spreading material on unaffected skin.;· In case of contact with substance, remove immediately by flushing skin or eyes with running water for at least 20 minutes.;· For severe burns, immediate medical attention is required.;· Effects of exposure (inhalation, ingestion, or skin contact) to substance may be delayed.;· Keep victim calm and warm.;· Keep victim under observation.;· For further assistance, contact your local Poison Control Center.;· Note: Basic Life Support (BLS) and Advanced Life Support (ALS) should be done by trained professionals.;Specific First Aid:;· For corrosives, in case of contact, immediately flush skin or eyes with running water for at least 30 minutes. Additional flushing may be required.

Exposure Control and Personal Protection · 1 item

· Wear positive pressure self-contained breathing apparatus (SCBA).;· Wear chemical protective clothing that is specifically recommended by the manufacturer when there is NO RISK OF FIRE.;· Structural firefighters' protective clothing provides thermal protection but only limited chemical protection.

Isolation and Evacuation · 1 item

Immediate precautionary measure;· Isolate spill or leak area for at least 50 meters (150 feet) in all directions.;Spill;· For highlighted materials: see Table 1 - Initial Isolation and Protective Action Distances.;· For non-highlighted materials: increase the immediate precautionary measure distance, in the downwind direction, as necessary.;Fire;· If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions.

Emergency Response Planning Guidelines · 1 item

· Some of these materials may react violently with water.;Small Fire;· Dry chemical, CO2, water spray or alcohol-resistant foam.;Large Fire;· Water spray, fog or alcohol-resistant foam.;· If it can be done safely, move undamaged containers away from the area around the fire.;· Dike runoff from fire control for later disposal.;· Do not get water inside containers.;Fire Involving Tanks, Rail Tank Cars or Highway Tanks;· Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles.;· Cool containers with flooding quantities of water until well after fire is out.;· Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank.;· ALWAYS stay away from tanks in direct contact with flames.;· For massive fire, use unmanned master stream devices or monitor nozzles; if this is impossible, withdraw from area and let fire burn.

Toxicology

Adverse EffectsDermatotoxin - Skin burns.;Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

Regulatory information

Regulatory Information · 4 items

Chemical: 1,2-Ethanediamine, N,N-diethyl-

1,2-Ethanediamine, N1,N1-diethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Ethanediamine, N1,N1-diethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 18-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11713

2-Aminoethyldiethylamine: Does not have an individual approval but may be used under an appropriate group standard

Safety data

PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
1
tsca
TSCA listed
rtecs
KV3500000
ridadr
UN 2685
hs_code
29212900
Toxicity
LD50 orally in Rabbit: 984 mg/kg LD50 dermal Rabbit 820 mg/kg
risk_code
10-20/21/22-35-21-36/37/38-34
Signal word
Danger
Symbol(GHS)
GHS02,GHS05,GHS06
hazard_code
C,Xi
safety_code
26-36/37/39-45-25-16-36-27
hazard_class
8
Storage Class
3 - Flammable liquids
packing_group
II
Hazard statements
H311-H303-H314-H226
Limited Quantities
1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities
Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
REACH Registrations
Active
Hazard Classifications
Acute Tox. 3 DermalAcute Tox. 4 InhalationFlam. Liq. 3Skin Corr. 1A
Autoignition Temperature
245 °C
Precautionary statements
P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P312-P361+P364-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
Butonitazene
1,2-Ethanediamine, N2-cyclohexyl-N1,N1-diethyl-
1,4-Naphthalenedione, 2-chloro-3-[[2-(diethylamino)ethyl]amino]-
N-[(4-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
N-[2-(Diethylamino)ethyl]-4-chlorobenzamide
N,N-Bis(2-mercaptoethyl)-N'',N''-diethylethylenediamine
3-Chloro-N-[2-(diethylaMino)ethyl]benzaMide, 97%
Metonitazene
N-[2-(Diethylamino)ethyl]-4-methoxybenzamide, 97%