propan-1-amine hydrochloride

• ChemBase ID: 149281
• Molecular Formular: C3H10ClN
• Molecular Mass: 95.5712
• Monoisotopic Mass: 95.05017701
• SMILES: CCCN.Cl
• Canonical SMILES: CCCN.Cl
• InChI: InChI=1S/C3H9N.ClH/c1-2-3-4;/h2-4H2,1H3;1H
• InChIKey: PYNUOAIJIQGACY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propan-1-amine hydrochloride
• IUPAC Traditional name: propylamine hydrochloride
• Synonyms: 1-Aminopropane hydrochloride; Propylamine hydrochloride; 1-氨基丙烷 盐酸盐; 正丙胺 盐酸盐

Database IDs

• CAS Number: 556-53-6
• EC Number: 209-129-9
• MDL Number: MFCD00012911
• PubChem SID: 162243449; 24854566
• PubChem CID: 11165

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.7702847
• LogD (pH = 7.4): -2.355427
• Log P: 0.25387147
• Molar Refractivity: 19.1914 cm^3
• Polarizability: 7.800994 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 160-162 °C(lit.)

Safety Information

• RTECS: UI3057000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99%
• Linear Formula: CH3CH2CH2NH2·HCl

DETAILS

Sigma Aldrich - 242543

Packaging
25, 100 g in glass bottle