2-azido-N-benzylacetamide

• ChemBase ID: 242398
• Molecular Formular: C9H10N4O
• Molecular Mass: 190.2019
• Monoisotopic Mass: 190.08546096
• SMILES: [N+](=[N-])=NCC(=O)NCc1ccccc1
• Canonical SMILES: O=C(CN=[N+]=[N-])NCc1ccccc1
• InChI: InChI=1S/C9H10N4O/c10-13-12-7-9(14)11-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)
• InChIKey: IBJSSQSSMGVSGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-azido-N-benzylacetamide
• IUPAC Traditional name: 2-azido-N-benzylacetamide
• Synonyms: 2-azido-N-benzylacetamide

Database IDs

• MDL Number: MFCD14652342
• PubChem SID: 164298308
• PubChem CID: 11332958

CALCULATED PROPERTIES

• Acid pKa: 15.01059
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8069116
• LogD (pH = 7.4): 0.8069116
• Log P: 0.92095727
• Molar Refractivity: 51.9699 cm^3
• Polarizability: 19.33409 Å^3
• Polar Surface Area: 58.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 39 - 41°C
• Hydrophobicity(logP): 1.823

Product Information

• Purity: 95%