1-(diphenylmethyl)azetidin-3-amine hydrochloride

• ChemBase ID: 289372
• Molecular Formular: C16H19ClN2
• Molecular Mass: 274.78846
• Monoisotopic Mass: 274.1236763
• SMILES: NC1CN(C(c2ccccc2)c2ccccc2)C1.Cl
• Canonical SMILES: NC1CN(C1)C(c1ccccc1)c1ccccc1.Cl
• InChI: InChI=1S/C16H18N2.ClH/c17-15-11-18(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;/h1-10,15-16H,11-12,17H2;1H
• InChIKey: AMEKOBTVZHDIFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(diphenylmethyl)azetidin-3-amine hydrochloride
• IUPAC Traditional name: 1-(diphenylmethyl)azetidin-3-amine hydrochloride
• Synonyms: 1-Benzhydrylazetidin-3-amine hydrochloride

Database IDs

• CAS Number: 1189735-08-7
• MDL Number: MFCD01665361
• PubChem SID: 180674903
• PubChem CID: 5744545

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.1562914
• LogD (pH = 7.4): 1.1809363
• Log P: 2.790141
• Molar Refractivity: 74.5345 cm^3
• Polarizability: 29.697594 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%