Basic information
- 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
Show more names
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 properties
- 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
Nitrogen Compounds -> Amines, Aliphatic
Corrosives
Density
0.8584 (NTP, 1992) - Less dense than water; will float
Relative density (water = 1): 0.9
0.9 @25 °C
Solubility
Very soluble (NTP, 1992)
Solubility in water: miscible
Flash Point
92 °F (NFPA, 2010)
33 °C c.c.
Boiling Point
248.9 °F at 760 mmHg (NTP, 1992)
119 °C
118.9 °C @760 [mm Hg]
Melting Point
-35 °F (NTP, 1992)
-12 °C
Vapor Density
2.6 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Relative vapor density (air = 1): 2.6
Vapor Pressure
9.0 [mmHg]
Vapor pressure, kPa at 20 °C: 1.2
Physical Description
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.
Physicochemical properties
- Melting point
- -37 °C · -37 °C
- Boiling point
- 120 · 120-122 °C(lit.)
- Density
- 0.87 g/mL · 0.87 g/mL at 25 °C(lit.)
- vapor density
- 2.6 · 2.6 (vs air)
- vapor pressure
- 14 mm · 14 mm Hg ( 20 °C)
- refractive index
- 20 · n20/D 1.446
- Flash point
- 92 °F · 92 °F
- storage temp.
- Flammables area
- solubility
- 2 O: · H2O: very soluble
- pka
- 9.82 · 9.82(at 25℃)
- form
- clear liquid
- color
- Colorless to Almost colorless
- 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
- FDA 21 CFR
- 176.18 · 176.180
- CAS DataBase Reference
- 78 · 78-90-0(CAS DataBase Reference)
- 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
- 29212900 · 29212900
- 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)
Safety & regulation
GHS classification
GHS Classification
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
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.)
Fire Hazards
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
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
· May cause toxic effects if inhaled or ingested.
Hazards Summary
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]
Reactivity Profile
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.
Safety & protection
Fire Fighting
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
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
· 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
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:
Spillage Disposal
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
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Immediate precautionary measure
Toxicology
Signs and Symptoms
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.
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
- 29212900
- 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
Chemistry & industry
Uses & manufacturing
Uses
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]
Applications
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
Downstream products
Suppliers50 total
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.
Related reactions
Linked notes
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