1-amino-N-(diphenylmethyl)cyclopentane-1-carboxamide

• ChemBase ID: 300982
• Molecular Formular: C19H22N2O
• Molecular Mass: 294.39078
• Monoisotopic Mass: 294.17321333
• SMILES: c1ccc(cc1)C(c1ccccc1)NC(=O)C1(CCCC1)N
• Canonical SMILES: O=C(C1(N)CCCC1)NC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C19H22N2O/c20-19(13-7-8-14-19)18(22)21-17(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14,20H2,(H,21,22)
• InChIKey: FXQKMNIGLIWUBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-N-(diphenylmethyl)cyclopentane-1-carboxamide
• IUPAC Traditional name: 1-amino-N-(diphenylmethyl)cyclopentane-1-carboxamide
• Synonyms: 1-Aminocyclopentanecarboxylic acid benzhydrylamide; 1-Amino-N-benzhydrylcyclopentanecarboxamide

Database IDs

• MDL Number: MFCD22683094

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.5333285
• LogD (pH = 7.4): 2.0004582
• Log P: 3.3608203
• Molar Refractivity: 88.0707 cm^3
• Polarizability: 34.846344 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 13.21723

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• 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: 97%