2-amino-N-benzylbenzamide

• ChemBase ID: 21546
• Molecular Formular: C14H14N2O
• Molecular Mass: 226.27376
• Monoisotopic Mass: 226.11061308
• SMILES: c1(C(=O)NCc2ccccc2)c(N)cccc1
• Canonical SMILES: O=C(c1ccccc1N)NCc1ccccc1
• InChI: InChI=1S/C14H14N2O/c15-13-9-5-4-8-12(13)14(17)16-10-11-6-2-1-3-7-11/h1-9H,10,15H2,(H,16,17)
• InChIKey: ANVAEYULLAJMQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-benzylbenzamide
• IUPAC Traditional name: 2-amino-N-benzylbenzamide
• Synonyms: 2-Amino-N-benzylbenzamide; 2-Amino-N-benzyl-benzamide

Database IDs

• CAS Number: 5471-20-5
• MDL Number: MFCD00232073
• PubChem SID: 160984853
• PubChem CID: 230755

CALCULATED PROPERTIES

• Acid pKa: 15.386309
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.592152
• LogD (pH = 7.4): 2.5930972
• Log P: 2.5931094
• Molar Refractivity: 69.3461 cm^3
• Polarizability: 25.741163 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 125 - 127°C
• Hydrophobicity(logP): 2.522

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%