2,2-diphenylpropan-1-amine hydrochloride

• ChemBase ID: 55869
• Molecular Formular: C15H18ClN
• Molecular Mass: 247.76312
• Monoisotopic Mass: 247.11277726
• SMILES: c1(C(c2ccccc2)(CN)C)ccccc1.Cl
• Canonical SMILES: NCC(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-amine hydrochloride
• IUPAC Traditional name: 2,2-diphenylpropylamine hydrochloride
• Synonyms: (2,2-Diphenylpropyl)amine hydrochloride; 2,2-diphenylpropan-1-amine hydrochloride

Database IDs

• CAS Number: 40691-66-5
• MDL Number: MFCD00008133
• PubChem SID: 162060632
• PubChem CID: 3084798

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.28779417
• LogD (pH = 7.4): 1.3075129
• Log P: 3.2644532
• Molar Refractivity: 78.7455 cm^3
• Polarizability: 27.006836 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 195 - 197°C
• Hydrophobicity(logP): 3.27

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%
• Salt Data: HCl