(2-chlorophenyl)methanamine hydrochloride

• ChemBase ID: 289481
• Molecular Formular: C7H9Cl2N
• Molecular Mass: 178.05906
• Monoisotopic Mass: 177.01120465
• SMILES: NCc1ccccc1Cl.Cl
• Canonical SMILES: NCc1ccccc1Cl.Cl
• InChI: InChI=1S/C7H8ClN.ClH/c8-7-4-2-1-3-6(7)5-9;/h1-4H,5,9H2;1H
• InChIKey: LXFIZCSCVYTFBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chlorophenyl)methanamine hydrochloride
• IUPAC Traditional name: (2-chlorophenyl)methanamine hydrochloride
• Synonyms: (2-Chlorophenyl)methanamine hydrochloride

Database IDs

• CAS Number: 22680-44-0
• PubChem SID: 180675012
• PubChem CID: 18670922

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2474346
• LogD (pH = 7.4): -0.089628845
• Log P: 1.703059
• Molar Refractivity: 39.3362 cm^3
• Polarizability: 15.556212 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%