(4-methylphenyl)(phenyl)methanamine hydrochloride

• ChemBase ID: 254640
• Molecular Formular: C14H16ClN
• Molecular Mass: 233.73654
• Monoisotopic Mass: 233.0971272
• SMILES: C(c1ccc(cc1)C)(c1ccccc1)N.Cl
• Canonical SMILES: Cc1ccc(cc1)C(c1ccccc1)N.Cl
• InChI: InChI=1S/C14H15N.ClH/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12;/h2-10,14H,15H2,1H3;1H
• InChIKey: NHTZSJKMWBONMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methylphenyl)(phenyl)methanamine hydrochloride
• IUPAC Traditional name: (4-methylphenyl)(phenyl)methanamine hydrochloride
• Synonyms: BHA.HCl resin; Benzhydrylamine hydrochloride, polymer-supported; (4-methylphenyl)(phenyl)methanamine hydrochloride; 二苯甲基胺盐酸盐, 键合于树脂

Database IDs

• MDL Number: MFCD03456188; MFCD00182941
• PubChem SID: 164310550
• PubChem CID: 2734294

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.46970844
• LogD (pH = 7.4): 1.71688
• Log P: 3.3966758
• Molar Refractivity: 63.8554 cm^3
• Polarizability: 25.157047 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 267 - 269°C
• Hydrophobicity(logP): 2.941

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 1% cross-linked, 100-200 mesh, 0.5-1.5 mmol/g on PS-DVB; 95%