Basic information
- Name:
3-Aminopyrrolidine dihydrochloride
- CAS No.:
103831-11-4
- Molecular Structure:
- Formula:
- C4H10N2.2(HCl)
- Molecular Weight:
- 159.06
- Synonyms:
- 3-Pyrrolidinamine,dihydrochloride (9CI);3-Pyrrolidinamine,hydrochloride (1:2);
- Melting Point:
- >300 °C
- Boiling Point:
- 214.5 °C at 760 mmHg
- Flash Point:
- 83.5 °C
- Appearance:
- off-white to cream colored crystalline powder
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36-37/39 Details
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Toxicity Data With Reference
RTECS#: CAS# 103831-11-4: None listed
LD50/LC50: RTECS: Not available.
Carcinogenicity: 3-Aminopyrrolidine dihydrochloride - Not listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65.
Other: The toxicological properties have not been fully investigated.
Specification
The 3-Aminopyrrolidine dihydrochloride with cas registry number of 103831-11-4 is also known as 3-Aminopyrrolidine dihydrochloride. It blongs to the categories of Pyrrole & Pyrrolidine & Pyrroline; 3-Aminopyrrolidines (Racemic); 3-Aminopyrrolidines; Building Blocks; Heterocyclic Building Blocks; Pyrrolidines. Both its IUPAC name and systematic name are called the same which is pyrrolidin-3-amine dihydrochloride. With appearance of off-white to cream colored crystalline powder, this chemical is sensitive to hygroscopic.
Physical properties about this chemical are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 38.05 Å2; (10)Flash Point: 83.5 °C; (11)Enthalpy of Vaporization: 46 kJ/mol; (12)Boiling Point: 214.5 °C at 760 mmHg; (13)Vapour Pressure: 0.128 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
Chemical Stability: Not available
Conditions to Avoid: Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials Strong oxidizing agents.
Hazardous Decomposition Products Hydrogen chloride, hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide, ammonia.
Hazardous Polymerization Has not been reported.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.NC1CCNC1;
(2)InChI: InChI=1/C4H10N2.2ClH/c5-4-1-2-6-3-4;;/h4,6H,1-3,5H2;2*1H;
(3)InChIKey: NJPNCMOUEXEGBL-UHFFFAOYAO
