propan-2-amine hydrochloride

• ChemBase ID: 90735
• Molecular Formular: C3H10ClN
• Molecular Mass: 95.5712
• Monoisotopic Mass: 95.05017701
• SMILES: NC(C)C.Cl
• Canonical SMILES: CC(N)C.Cl
• InChI: InChI=1S/C3H9N.ClH/c1-3(2)4;/h3H,4H2,1-2H3;1H
• InChIKey: ISYORFGKSZLPNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propan-2-amine hydrochloride
• IUPAC Traditional name: isopropylamine hydrochloride
• Synonyms: 2-Aminopropane hydrochloride; Isopropylamine hydrochloride

Database IDs

• CAS Number: 15572-56-2
• EC Number: 239-629-2
• PubChem SID: 162077475
• PubChem CID: 6432137

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.879705
• LogD (pH = 7.4): -2.5821686
• Log P: 0.14792411
• Molar Refractivity: 19.0862 cm^3
• Polarizability: 7.800994 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 160°C

Safety Information

• Storage Warning: Harmful/Irritant/Hygroscopic
• RTECS: NT9530000