3-chloropropan-1-amine hydrochloride

• ChemBase ID: 75117
• Molecular Formular: C3H9Cl2N
• Molecular Mass: 130.01626
• Monoisotopic Mass: 129.01120465
• SMILES: ClCCCN.Cl
• Canonical SMILES: NCCCCl.Cl
• InChI: InChI=1S/C3H8ClN.ClH/c4-2-1-3-5;/h1-3,5H2;1H
• InChIKey: IHPRVZKJZGXTBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloropropan-1-amine hydrochloride
• IUPAC Traditional name: 3-chloropropan-1-amine hydrochloride
• Synonyms: 3-Chloropropylamine hydrochloride; 3-chloropropan-1-amine hydrochloride; 1-Amino-3-chloropropane hydrochloride; 3-Chloropropylamine hydrochloride; 3-Aminopropyl chloride hydrochloride; 1-氨基-3-氯丙烷 盐酸盐; 3-氯丙胺 盐酸盐; 3-氯丙基胺 盐酸盐

Database IDs

• CAS Number: 6276-54-6
• EC Number: 228-474-6
• MDL Number: MFCD00012913
• Beilstein Number: 3667451
• PubChem SID: 162040035; 24848529
• PubChem CID: 11469095

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.9242377
• LogD (pH = 7.4): -2.482903
• Log P: 0.098990716
• Molar Refractivity: 24.1275 cm^3
• Polarizability: 9.609011 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 145-150 °C(lit.); 147-152°C; 148 - 150°C
• Hydrophobicity(logP): 0.257

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 98%
• Salt Data: HCl
• Linear Formula: ClCH2CH2CH2NH2 · HCl

DETAILS

Sigma Aldrich - 142549

Packaging
50, 250 g in poly bottle