pyrrolidin-1-amine hydrochloride

• ChemBase ID: 63495
• Molecular Formular: C4H11ClN2
• Molecular Mass: 122.59654
• Monoisotopic Mass: 122.06107604
• SMILES: Cl.C1N(N)CCC1
• Canonical SMILES: NN1CCCC1.Cl
• InChI: InChI=1S/C4H10N2.ClH/c5-6-3-1-2-4-6;/h1-5H2;1H
• InChIKey: KTVYGDJRKCXTRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrrolidin-1-amine hydrochloride
• IUPAC Traditional name: pyrrolidin-1-amine hydrochloride
• Synonyms: Pyrrolidin-1-amine hydrochloride; 1-Aminopyrrolidine hydrochloride; 1-氨基吡咯烷 盐酸盐

Database IDs

• CAS Number: 63234-71-9
• EC Number: 264-040-2
• MDL Number: MFCD00003172
• PubChem SID: 24881120; 162029234
• PubChem CID: 3017392

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1102792
• LogD (pH = 7.4): -0.48071516
• Log P: -0.46222273
• Molar Refractivity: 26.7185 cm^3
• Polarizability: 10.223148 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 109-126 °C(lit.)

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: >95%
• Grade: technical grade
• Empirical Formula (Hill Notation): C4H10N2 · HCl

DETAILS

Sigma Aldrich - 586447

Other Notes
May contain varying amounts of dihydrochloride
Packaging
5, 10 g in glass bottle