2-azido-N-phenylpropanamide

• ChemBase ID: 242498
• Molecular Formular: C9H10N4O
• Molecular Mass: 190.2019
• Monoisotopic Mass: 190.08546096
• SMILES: [N+](=[N-])=NC(C(=O)Nc1ccccc1)C
• Canonical SMILES: CC(C(=O)Nc1ccccc1)N=[N+]=[N-]
• InChI: InChI=1S/C9H10N4O/c1-7(12-13-10)9(14)11-8-5-3-2-4-6-8/h2-7H,1H3,(H,11,14)
• InChIKey: CLNBDOKUHFUJCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14652314
• PubChem SID: 164298408
• PubChem CID: 61373081

CALCULATED PROPERTIES

• Acid pKa: 13.22996
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6687711
• LogD (pH = 7.4): 1.6687706
• Log P: 1.7828168
• Molar Refractivity: 53.4096 cm^3
• Polarizability: 19.325474 Å^3
• Polar Surface Area: 58.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.343

Product Information

• Purity: 95%