phenylmethanaminium chloride

• ChemBase ID: 301951
• Molecular Formular: C7H10ClN
• Molecular Mass: 143.614
• Monoisotopic Mass: 143.05017701
• SMILES: c1ccc(cc1)C[NH3+].[Cl-]
• Canonical SMILES: [NH3+]Cc1ccccc1.[Cl-]
• InChI: InChI=1S/C7H9N.ClH/c8-6-7-4-2-1-3-5-7;/h1-5H,6,8H2;1H
• InChIKey: XKXHCNPAFAXVRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenylmethanaminium chloride
• IUPAC Traditional name: benzylaminium chloride
• Synonyms: Benzylamine hydrochloride; 苄胺 盐酸盐

Database IDs

• CAS Number: 3287-99-8
• EC Number: 221-943-6
• MDL Number: MFCD00012852
• Beilstein Number: 3594394
• Merck Index: 141125

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): -1.890384
• LogD (pH = 7.4): -0.9633724
• Log P: 1.0990143
• Molar Refractivity: 45.8242 cm^3
• Polarizability: 13.662227 Å^3
• Polar Surface Area: 27.64 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 262-263°C

Safety Information

• Storage Warning: Hygroscopic
• RTECS: DP5425000
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 99%