(4-chlorophenyl)(phenyl)methanamine hydrochloride

• ChemBase ID: 150347
• Molecular Formular: C13H13Cl2N
• Molecular Mass: 254.15502
• Monoisotopic Mass: 253.04250478
• SMILES: c1ccc(cc1)C(c1ccc(cc1)Cl)N.Cl
• Canonical SMILES: Clc1ccc(cc1)C(c1ccccc1)N.Cl
• InChI: InChI=1S/C13H12ClN.ClH/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;/h1-9,13H,15H2;1H
• InChIKey: UHPRBUXOILBKFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chlorophenyl)(phenyl)methanamine hydrochloride
• IUPAC Traditional name: (4-chlorophenyl)(phenyl)methanamine hydrochloride
• Synonyms: (4-chlorophenyl)(phenyl)methylamine hydrochloride; 4-Chlorobenzhydrylamine hydrochloride; 4-氯二苯甲胺 盐酸盐

Database IDs

• CAS Number: 28022-43-7; 5267-39-0
• EC Number: 226-085-6
• MDL Number: MFCD00013024
• PubChem SID: 162244508; 24892488
• PubChem CID: 16219096

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.58269167
• LogD (pH = 7.4): 1.8964057
• Log P: 3.4872992
• Molar Refractivity: 63.619 cm^3
• Polarizability: 25.16743 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 297 - 299°C; 300-305 °C (dec.)(lit.)
• Hydrophobicity(logP): 0.0

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• 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: 95%; 98%
• Linear Formula: ClC6H4CH(C6H5)NH2 · HCl

DETAILS

Sigma Aldrich - C24450

Packaging
10 g in poly bottle