Basic information
- Standard SMILES
NCCCN- InChIKey
XFNJVJPLKCPIBV-UHFFFAOYSA-N- Molecular formula
- C3H10N2
- Average molar mass
- 74.13 g/mol
- Monoisotopic mass
- 74.08439832
Overview
1,3-diaminopropane is a water-white mobile liquid with an odor of amine. (NTP, 1992)
Names & identifiers
- Preferred name
- 1,3-Propanediamine
- IUPAC
- propane-1,3-diamine
- English name
- 1,3-Diaminopropane
- Molecular formula
- C3H10N2
- Molecular weight
- 74.12
Names & synonyms
1,3-diaminopropane1,3-Propanediamine109-76-2Trimethylenediamine1,3-Propylenediamine3-Aminopropylaminealpha,omega-PropanediamineCB3ISL56KG1,3-diaminepropaneNSC-8154DTXSID1021906CHEBI:15725
Show more names
H2N(CH2)3NH213DAP3-Propanediamine1,3-DiaMinopropane, 99% 1LTFENTAMINE PDAAKOS BBS-000042811,3 Diaminopropan
RefChem:72575DTXCID301906203-702-7611-082-8Propane-1,3-diamineMFCD00008228BRN 0605277AI3-25358
Database identifiers
- CAS
109-76-2、54018-94-9- PubChem CID
- 428
- DTXSID
DTXSID1021906- ChEMBL
CHEMBL174324- ChEBI
CHEBI:15725- UNII
- CB3ISL56KG
- EC Number
- 203-702-7、611-082-8
- Nikkaji
- J1.969K
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 12.4
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Amines, Aliphatic
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP
-1.43
-1.43
Density
0.881 at 68 °F (NTP, 1992) - Less dense than water; will float
0.8881 @25 °C
SolubilitySoluble (NTP, 1992)
Flash Point75 °F (NTP, 1992)
Boiling Point
275.9 °F at 738 mmHg (NTP, 1992)
139.80 °C. @ 760.00 mm Hg
Melting Point
10 °F (NTP, 1992)
-12 °C
-12 °C
Vapor Density2.5 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure11.5 [mmHg]
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
1,3-diaminopropane is a water-white mobile liquid with an odor of amine. (NTP, 1992)
Liquid
Colorless to yellow liquid with an amine odor; [CHEMINFO (MSDS)] Colorless liquid with an odor of amines; [CAMEO]
Liquid
Physicochemical properties
- Melting point
- -12 °C · -12 °C
- Boiling point
- 140 °C · 140 °C(lit.)
- Density
- 0.888 g/mL · 0.888 g/mL at 25 °C(lit.)
- vapor pressure
- 8 mm · <8 mm Hg ( 20 °C)
- refractive index
- 20 · n20/D 1.458(lit.)
- Flash point
- 120 °F · 120 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 10.94 · 10.94(at 10℃)
- form
- Liquid
- color
- Clear
- PH
- 12 · >12 (100g/l, H2O, 20℃)
- explosive limit
- 2.8 · 2.8-15.2%(V)
- Water Solubility
- SOLUBLE
- Sensitive
- Air Sensitive
- BRN
- 605277 · 605277
- Dielectric constant
- 9.6 · 9.6(Ambient)
- Stability
- Stable. Hygroscopic. Flammable - readily forms explosive mixtures with air. Incompatible with acid anhydrides, acid chlorides, acids, strong oxidizing agents.
- InChI
- 1S/C3H10N2/c4-2-1-3-5/h1-5H2
- InChIKey
- XFNJVJPLKCPIBV-UHFFFAOYSA-N
- SMILES
- NCCCN
- LogP
- -1.05 at · -1.05 at 25℃
- CAS DataBase Reference
- 109 · 109-76-2(CAS DataBase Reference)
- Indirect Additives used in Food Contact Substances
- TRIMETHYLENEDIAMINE
- FDA 21 CFR
- 176.18 · 176.180; 177.1200
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3 ISL56KG · CB3ISL56KG
- NIST Chemistry Reference
- 1 · 1,3-Propanediamine(109-76-2)
- EPA Substance Registry System
- 1 · 1,3-Diaminopropane (109-76-2)
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 310 · H310-H301-H314-H402-H226
- Precautionary statements
- 501 · P501-P273-P270-P262-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P361+P364-P303+P361+P353-P301+P330+P331-P301+P310+P330-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- T,C
- Risk Statements
- 10 · 10-22-24-35
- Safety Statements
- 26 · 26-36/37/39-45-25-16
- RIDADR
- 2922 · UN 2922 8/PG 2
- WGK Germany
- 2 · 2
- RTECS
- 6825000 · TX6825000
- F
- 34 · 34
- Autoignition Temperature
- 662 °F · 662 °F
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29212900 · 29212900
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 DermalAcute · Acute Tox. 2 DermalAcute Tox. 4 OralEye Dam. 1Flam. Liq. 3Met. Corr. 1Resp. Sens. 1BSkin Corr. 1BSkin Sens. 1B
- Toxicity
- 50 orally · LD50 orally in Rabbit: 700 mg/kg LD50 dermal Rabbit 200 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 (99.6%): 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)
Aggregated GHS information provided per 251 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
Hazard information
Regulatory Information
Chemical: 1,3-Propanediamine
1,3-Propanediamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediamine 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: 10-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/11978
1,3-Diaminopropane: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
DOT LabelCorrosive Flammable Liquid
Fire HazardsThis compound is a flammable liquid. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: This compound is a strong irritant to eyes and skin: corrosive HAZARDOUS DECOMPOSITION PRODUCTS. (NTP, 1992)
Hazards Summary
Corrosive to skin; [Quick CPC] Highly irritating or corrosive to skin and eyes; [NTP] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; Toxic by skin absorption; [Alfa Aesar MSDS]
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity AlertsHighly Flammable
Reactivity Profile1,3-DIAMINOPROPANE is heat sensitive. This compound may react with oxidizing agents. (NTP, 1992)
Air and Water ReactionsHighly flammable. Water soluble.
Hazard Classes and Categories
Flam. Liq. 3 (99.6%)
Flammable liquids - Category 2
Safety & protection
Fire Fighting
This compound is not very flammable but any fire involving this compound may produce dangerous vapors. You should evacuate the area. All firefighters should wear full-body protective clothing and use self-contained breathing apparatuses. You should extinguish any fires involving this chemical with a dry chemical, carbon dioxide, foam, or halon extinguisher. (NTP, 1992)
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.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you should spill this chemical, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Isolation and EvacuationExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Protective Action Criteria (PAC)
0.93 [mg/m3]
10 [mg/m3]
62 [mg/m3]
Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- F
- 34
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- TX6825000
- ridadr
- UN 2922 8/PG 2
- hs_code
- 29212900
- Toxicity
- LD50 orally in Rabbit: 700 mg/kg LD50 dermal Rabbit 200 mg/kg
- risk_code
- 10-22-24-35
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS06,GHS08
- hazard_code
- T,C
- safety_code
- 26-36/37/39-45-25-16
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H310-H301-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. 2 DermalAcute Tox. 4 OralEye Dam. 1Flam. Liq. 3Met. Corr. 1Resp. Sens. 1BSkin Corr. 1BSkin Sens. 1B
- Autoignition Temperature
- 662 °F
- Precautionary statements
- P501-P273-P270-P262-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P361+P364-P303+P361+P353-P301+P330+P331-P301+P310+P330-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Metabolite Pathwaysbeta-Alanine metabolism
Uses & manufacturing
UsesUsed as an organic intermediate; [NTP]
U.S. Production2023: <50,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1,3-Propanediamine: ACTIVE
Applications
Uses1,3-Diaminopropane is commonly used in the preparation of cholinesterase inhibitors and thrombosis inhibitors. It is also used as a polymer cross linkage agent, polyurethane extender and spray coatings. It is involved in the preparation of agrochemicals and pharmaceutical intermediates. Further, it acts as a building block in the synthesis of heterocyclic compounds, which finds application in textile finishing. In addition to this, it is used as a ligand and form coordination complexes. 1,3-Diaminopropane is also utilized for the production of a chelating agent used in the photo industry and for anticorrosion agents.
General DescriptionWater-white mobile liquid with an odor of amine.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
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Additional notes
DefinitionChEBI: 1,3-Diaminopropane is an alkane-alpha,omega-diamine comprising a propane skeleton with amino substituents at positions 1 and 3. It has a role as a reagent, a human metabolite and a mouse metabolite. It is a conjugate base of a trimethylenediaminium.
Related reactions
458 records
Linked notes
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