2,2-diphenylpropan-1-aminium chloride

• ChemBase ID: 302433
• Molecular Formular: C15H18ClN
• Molecular Mass: 247.76312
• Monoisotopic Mass: 247.11277726
• SMILES: CC(C[NH3+])(c1ccccc1)c1ccccc1.[Cl-]
• Canonical SMILES: [NH3+]CC(c1ccccc1)(c1ccccc1)C.[Cl-]
• InChI: InChI=1S/C15H17N.ClH/c1-15(12-16,13-8-4-2-5-9-13)14-10-6-3-7-11-14;/h2-11H,12,16H2,1H3;1H
• InChIKey: AASCJSPDUDWGGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-diphenylpropan-1-aminium chloride
• IUPAC Traditional name: 2,2-diphenylpropan-1-aminium chloride
• Synonyms: 2,2-Diphenylpropylamine hydrochloride; 2,2-联苯基丙基胺 盐酸盐

Database IDs

• CAS Number: 40691-66-5
• EC Number: 255-039-8
• MDL Number: MFCD00008133
• Beilstein Number: 3709987

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): 0.28779417
• LogD (pH = 7.4): 1.3075129
• Log P: 3.2644532
• Molar Refractivity: 90.0383 cm^3
• Polarizability: 26.919573 Å^3
• Polar Surface Area: 27.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 250-256°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: 98+%