diphenylmethanamine hydrochloride

• ChemBase ID: 146518
• Molecular Formular: C13H14ClN
• Molecular Mass: 219.70996
• Monoisotopic Mass: 219.08147713
• SMILES: c1ccc(cc1)C(c1ccccc1)N.Cl
• Canonical SMILES: NC(c1ccccc1)c1ccccc1.Cl
• InChI: InChI=1S/C13H13N.ClH/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10,13H,14H2;1H
• InChIKey: CIHWJRSPVJBHGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diphenylmethanamine hydrochloride
• IUPAC Traditional name: benzhydrylamin hydrochloride
• Synonyms: Benzhydrylamine hydrochloride; Aminodiphenylmethane hydrochloride; Benzhydrylamine hydrochloride; 二苯甲胺 盐酸盐; 氨基二苯甲烷 盐酸盐

Database IDs

• CAS Number: 5267-34-5
• EC Number: 226-084-0
• MDL Number: MFCD00013023
• PubChem SID: 162240713; 24850605
• PubChem CID: 78921

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.03581461
• LogD (pH = 7.4): 1.2365433
• Log P: 2.8832545
• Molar Refractivity: 58.8142 cm^3
• Polarizability: 23.393534 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 293-295 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: (C6H5)2CHNH2 · HCl

DETAILS

Sigma Aldrich - 176885

Packaging
25, 100 g in poly bottle