1-(diphenylmethyl)azetidin-3-amine

• ChemBase ID: 63232
• Molecular Formular: C16H18N2
• Molecular Mass: 238.32752
• Monoisotopic Mass: 238.14699859
• SMILES: C(N1CC(N)C1)(c1ccccc1)c1ccccc1
• Canonical SMILES: NC1CN(C1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C16H18N2/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
• InChIKey: LYTNNHXGUOKXFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(diphenylmethyl)azetidin-3-amine
• IUPAC Traditional name: 1-(diphenylmethyl)azetidin-3-amine
• Synonyms: 1-Benzhydrylazetidin-3-amine; 1-Benzhydrylazetidin-3-amine; 1-(Diphenylmethyl)azetidin-3-amine; 3-Amino-1-(diphenylmethyl)azetidine 97%

Database IDs

• CAS Number: 40432-52-8
• MDL Number: MFCD03093386
• PubChem SID: 162028971
• PubChem CID: 5744546

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

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 98%