2-azido-N-(propan-2-yl)propanamide

• ChemBase ID: 242452
• Molecular Formular: C6H12N4O
• Molecular Mass: 156.18568
• Monoisotopic Mass: 156.10111102
• SMILES: [N+](=[N-])=NC(C(=O)NC(C)C)C
• Canonical SMILES: CC(C(=O)NC(C)C)N=[N+]=[N-]
• InChI: InChI=1S/C6H12N4O/c1-4(2)8-6(11)5(3)9-10-7/h4-5H,1-3H3,(H,8,11)
• InChIKey: CKTSUMVBXUGSGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-azido-N-(propan-2-yl)propanamide
• IUPAC Traditional name: 2-azido-N-isopropylpropanamide
• Synonyms: 2-azido-N-(propan-2-yl)propanamide

Database IDs

• MDL Number: MFCD14652326
• PubChem SID: 164298362
• PubChem CID: 14720887

CALCULATED PROPERTIES

• Acid pKa: 15.175587
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.4245857
• LogD (pH = 7.4): 0.4245857
• Log P: 0.5386313
• Molar Refractivity: 41.0186 cm^3
• Polarizability: 15.3088045 Å^3
• Polar Surface Area: 58.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.011

Product Information

• Purity: 95%