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Propylenediamine

HCID 6567
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Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
78-90-0
Standard SMILES
CC(N)CN
InChIKey
AOHJOMMDDJHIJH-UHFFFAOYSA-N
Molecular formula
C3H10N2
Average molar mass
74.13 g/mol
Monoisotopic mass
74.08439832

Overview

1,2-propylenediamine appears as a colorless liquid with an ammonia-like odor. Strongly irritates skin and tissue.

Names & identifiers

Preferred name
Propylenediamine
IUPAC
propane-1,2-diamine
English name
1,2-Diaminopropane
Molecular formula
C3H10N2
Molecular weight
74.12

Names & synonyms

1,2-DIAMINOPROPANEPropylenediamine78-90-01,2-Propanediamine2,3-DiaminopropaneDTXSID40217612A4P522UGODL-1,2-PropanediamineNSC-1757311-Methyl-1,2-diaminoethaneDTXCID701761CHEBI:30630
Show more names
DIAMINOPROPANEPROPANEDIAMINE12APrac 1,2-Diaminopropane-d6NSC 175731
RefChem:411509201-155-9propane-1,2-diamine1,2-PropylenediaminePropylene diamine1-methylethylenediamine10424-38-11,2 Diaminopropane

Database identifiers

CAS
78-90-0
PubChem CID
6567
DTXSID
DTXSID4021761
ChEMBL
CHEMBL1319459
ChEBI
CHEBI:30630
UNII
2A4P522UGO
EC Number
201-155-9
Nikkaji
J4.225K

Properties

Computed structural propertiesFilling in

XLogP
-1.2
Topological polar surface area
52 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
5
Formal charge
0
Complexity
20.9

Experimental & physicochemical properties

Chemical Classes · 2 items

Nitrogen Compounds -> Amines, Aliphatic

Corrosives

LogP-1.8
Density · 3 items

0.8584 (NTP, 1992) - Less dense than water; will float

Relative density (water = 1): 0.9

0.9 @25 °C

Solubility · 2 items

Very soluble (NTP, 1992)

Solubility in water: miscible

Flash Point · 2 items

92 °F (NFPA, 2010)

33 °C c.c.

Boiling Point · 3 items

248.9 °F at 760 mmHg (NTP, 1992)

119 °C

118.9 °C @760 [mm Hg]

Melting Point · 2 items

-35 °F (NTP, 1992)

-12 °C

Vapor Density · 2 items

2.6 (NTP, 1992) - Heavier than air; will sink (Relative to Air)

Relative vapor density (air = 1): 2.6

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: Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P342+P316, P361+P364, P362+P364, P363, P370+P378, P403, P403+P235, P405, and P501 (click each P-code to see the statement)

Hazard information

Regulatory Information · 4 items

Chemical: 1,2-Propanediamine

Status: Active Update: 01-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/2163

1,2-Diaminopropane: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelCorrosive Flammable Liquid
Fire Hazards · 3 items

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

· Flammable/combustible material.

Flammable. Gives off irritating or toxic fumes (or gases) in a fire. Above 33 °C explosive vapour/air mixtures may be formed.

Health Hazards · 2 items

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

Chemistry & industry

Uses & manufacturing

Uses · 2 items

Used with cupric sulfate as reagent for mercury; [Merck Index] Used to make medicines, dyes, and rubber accelerators; Also used in electroplating and as analytical reagent; [NTP]

Electroplating [Category: Plate]

General Manufacturing Information1,2-Propanediamine: ACTIVE
Applications · 4 items

Description1,2-Diaminopropane is a colorless liquid that is very hygroscopic and miscible with water and most organic solvents. It forms azeotropes with butanol, 2-methylpropanol, and toluene and has a strong ammoniacal odor.

Uses1,2-Diaminopropane was used as model precursor in the electron induced deposition of amorphous carbon nitride films.

UsesIn conjunction with cupric sulfate it is a very sensitive reagent for mercury.

General DescriptionA colorless liquid with an ammonia-like odor. Flash point 160°F. Density 0.87 g / cm3. Boiling point 243°F. Strongly irritates skin and tissue.

Upstream & downstream products

Upstream raw materials

1,2-DichloropropaneAmmonia

Downstream products

Amifostine2-Ethyl-4-methylimidazolePEPLOMYCIN2,6-DimethylpyrazineC.I.BASICBLUE22

Related reactions

93 records
New reaction record
HRID 46163 reaction equation
HRID 46163As reactantuspto-grants-2013_09
HRID 65698 reaction equation
HRID 65698As reactantuspto-grants-1978_12
HRID 65831 reaction equation
HRID 65831As reactantuspto-grants-1978_12
HRID 66329 reaction equation
HRID 66329As reactantuspto-grants-1978_12
HRID 109239 reaction equation
HRID 109239As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 122995 reaction equation
HRID 122995As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 134601 reaction equation
HRID 134601As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 254466 reaction equation
HRID 254466As reactantuspto-grants-2011_01
Page 1 of 12

Compound notes

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Vapor Pressure · 2 items

9.0 [mmHg]

Vapor pressure, kPa at 20 °C: 1.2

Physical Description · 4 items

1,2-propylenediamine appears as a colorless liquid with an ammonia-like odor. Strongly irritates skin and tissue.

Extremely hygroscopic liquid; [Merck Index] Colorless liquid with an ammoniacal odor; [CAMEO]

Solid

HYGROSCOPIC COLOURLESS LIQUID WITH PUNGENT ODOUR.

Autoignition Temperature416 °C

Physicochemical properties

Melting point
37.1 °C; · −37.1 °C; −34.9 °F; 236.0 K
Boiling point
119.6 °C; · 119.6 °C; 247.2 °F; 392.7 K
Density
870 mg · 870 mg mL−1
vapor density
2.6 · 2.6 (vs air)
vapor pressure
14 mm · 14 mm Hg ( 20 °C)
refractive index
1.446 · 1.446
Flash point
34 °C · 34 °C (93 °F; 307 K)
storage temp.
Flammables area
solubility
2 O: · H2O: very soluble
pka
9.82 · 9.82(at 25℃)
form
liquid
color
Colourless
PH
12 · 12 (100g/l, H2O, 20℃)
explosive limit
2.2 · 2.2-11.1%(V)
Water Solubility
SOLUBLE
Sensitive
Air Sensitive & Hygroscopic
Merck
14 · 14,7852
BRN
605274 · 605274
Henry's Law Constant
1.4 · 1.4×103 mol/(m3Pa) at 25℃, Nguyen (2013)
Dielectric constant
10.2 · 10.2(Ambient)
Stability
Stable. Flammable. Incompatible with strong oxidizing agents, acids, acid chlorides, acid anhydrides.
InChI
1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3
InChIKey
AOHJOMMDDJHIJH-UHFFFAOYSA-N
SMILES
CC(N)CN
LogP
-1.2 at · -1.2 at 20℃
Surface tension
33.8 mN/m · 33.8mN/m at 293.15K
CAS DataBase Reference
78 · 78-90-0(CAS DataBase Reference)
FDA 21 CFR
176.18 · 176.180
EWG's Food Scores
1 · 1
FDA UNII
2 A4P522UGO · 2A4P522UGO
NIST Chemistry Reference
1 · 1,2-Propanediamine(78-90-0)
EPA Substance Registry System
1 · 1,2-Diaminopropane (78-90-0)
UNSPSC Code
12352100 · 12352100
NACRES
22 · NA.22
Symbol(GHS)
2 · GHS02,GHS05,GHS06
Signal word
Danger
Hazard statements
311 · H311-H303-H314-H402-H226
Precautionary statements
501 · P501-P273-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
Risk Statements
10 · 10-21/22-35-42/43
Safety Statements
26 · 26-37/39-45-36/37/39-23
RIDADR
2258 · UN 2258
WGK Germany
1 · 1
RTECS
6650000 · TX6650000
F
3 · 3-10-23
Autoignition Temperature
680 °F · 680 °F
TSCA
TSCA listed
HazardClass
8 · 8
PackingGroup
II
HS Code
2921290090 · 2921290090
Storage Class
3 · 3 - Flammable liquids
Hazard Classifications
3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 4 OralFlam. Liq. 3Resp. Sens. 1Skin Corr. 1ASkin Sens. 1
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)

· May cause toxic effects if inhaled or ingested.

Hazards Summary · 1 item

Corrosive to skin; [Quick CPC] High inhalation exposure can cause pulmonary edema; [ICSC] Rapidly forms the hemihydrate on absorption of moisture; [Merck Index] Classifications in the EU: Causes severe burns; Harmful by ingestion and skin contact; [IUCLID]

DOT ID and Guide2258 132
Reactive GroupAmines, Phosphines, and Pyridines
EC ClassificationSymbol: C; R: 10-21/22-35; S: (1/2)-26-37/39-45
UN ClassificationUN Hazard Class: 8; UN Subsidiary Risks: 3; UN Pack Group: II
Reactivity AlertsHighly Flammable
Reactivity Profile · 1 item

1,2-PROPYLENEDIAMINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. May generate hydrogen, a flammable gas, in combination with strong reducing agents such as hydrides.

Chemical DangersDecomposes on burning. This produces toxic fumes including nitrogen oxides. The substance is a strong base. It reacts violently with acid and is corrosive. Reacts with acid anhydrides, acid chlorides and strong oxidants.

Safety & protection

Fire Fighting · 2 items

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

Use water in large amounts, powder, alcohol-resistant foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

First Aid Measures · 4 items

Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer immediately for medical attention.

Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer immediately for medical attention.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Do NOT induce vomiting. Give one or two glasses of water to drink. Refer immediately for medical attention.

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.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 items

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

General First Aid:

Safe StorageFireproof. Separated from food and feedstuffs, strong oxidants, acids, acid anhydrides and acid chlorides. Well closed. Store in an area without drain or sewer access.
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Spillage Disposal · 1 item

Remove all ignition sources. Personal protection: complete protective clothing including self-contained breathing apparatus. Do NOT let this chemical enter the environment. Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

Isolation and Evacuation · 2 items

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

Immediate precautionary measure

Eye PreventionWear face shield or eye protection in combination with breathing protection.
Fire PreventionNO open flames, NO sparks and NO smoking. NO contact with oxidizing agents. Above 33 °C use a closed system, ventilation and explosion-proof electrical equipment.
Inhalation RiskA harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C.

Toxicology

Adverse EffectsDermatotoxin - Skin burns.
Exposure RoutesSerious local effects by all routes of exposure.
Signs and Symptoms · 4 items

Sore throat. Cough. Burning sensation. Shortness of breath. Laboured breathing.

Pain. Redness. Skin burns.

Pain. Redness. Burns. Loss of vision.

Burning sensation. Sore throat. Abdominal pain. Nausea. Vomiting. Shock or collapse.

ICSC Environmental DataThe substance is harmful to aquatic organisms.

Safety data

F
3-10-23
PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
1
tsca
TSCA listed
rtecs
TX6650000
ridadr
UN 2258
hs_code
2921290090
risk_code
10-21/22-35-42/43
Signal word
Danger
Symbol(GHS)
GHS02,GHS05,GHS06
hazard_code
C
safety_code
26-37/39-45-36/37/39-23
hazard_class
8
Storage Class
3 - Flammable liquids
packing_group
II
Hazard statements
H311-H303-H314-H402-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 OralFlam. Liq. 3Resp. Sens. 1Skin Corr. 1ASkin Sens. 1
Autoignition Temperature
680 °F
Precautionary statements
P501-P273-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
1,2-Dimethyl-1,4,5,6-tetrahydropyrimidine
fluorocarbon sulfactant FC-3
Fluorocarbon Surfactant FN-2
Fluorocaruor surfactant FC-4
2,3-Diethyl-5-methylpyrazine

Additional notes

DefinitionChEBI: A diamine that is propane substituted by amino groups at positions 1 and 2. Propylenediamine is commonly used as a bidentate ligand in the formation of coordination complexes.