bis[(2-bromophenyl)methyl]amine hydrochloride

• ChemBase ID: 295685
• Molecular Formular: C14H14Br2ClN
• Molecular Mass: 391.52866
• Monoisotopic Mass: 388.91815113
• SMILES: c1ccc(c(c1)CNCc1ccccc1Br)Br.Cl
• Canonical SMILES: Brc1ccccc1CNCc1ccccc1Br.Cl
• InChI: InChI=1S/C14H13Br2N.ClH/c15-13-7-3-1-5-11(13)9-17-10-12-6-2-4-8-14(12)16;/h1-8,17H,9-10H2;1H
• InChIKey: KXMULHDKALNZDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis[(2-bromophenyl)methyl]amine hydrochloride
• IUPAC Traditional name: bis[(2-bromophenyl)methyl]amine hydrochloride
• Synonyms: 2,2'-Dibromodibenzylamine hydrochloride; Bis(2-bromobenzyl)amine hydrochloride; 双(2-溴苄基)胺盐酸盐

Database IDs

• CAS Number: 336615-45-3
• MDL Number: MFCD01632133
• PubChem SID: 180681216
• PubChem CID: 24212083

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7098255
• LogD (pH = 7.4): 4.3745003
• Log P: 4.793573
• Molar Refractivity: 79.1642 cm^3
• Polarizability: 30.629839 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 165-168°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• 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: 99%