Basic information
- 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
Show more names
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 properties
- 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
Physical Description
Liquid
Colorless liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- -70 °C · <-70°C
- Boiling point
- 145 · 145-147 °C(lit.)
- Density
- 0.827 g/mL · 0.827 g/mL at 25 °C(lit.)
- vapor pressure
- 5.33 hPa · 5.33hPa at 20℃
- refractive index
- 20 · n20/D 1.436(lit.)
- Flash point
- 87 °F · 87 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- soluble in Methanol, Water
- form
- Liquid
- pka
- 1 · pK1:7.70(+2);pK2:10.46(+1) (25°C)
- color
- Clear colorless to light yellow
- 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)
Safety & regulation
GHS classification
GHS Classification
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
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
· 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
· 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.
DOT Hazard Classification
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
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
· 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
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
· 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
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
· 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
Regulatory information
Regulatory Information
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
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
Plastics Product Manufacturing
1,2-Ethanediamine, N1,N1-diethyl-: ACTIVE
Applications
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
Downstream products
Suppliers50 total
Related reactions
Linked notes
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