N-(2-azidoethyl)-2-methylpropanamide

• ChemBase ID: 243804
• Molecular Formular: C6H12N4O
• Molecular Mass: 156.18568
• Monoisotopic Mass: 156.10111102
• SMILES: [N+](=[N-])=NCCNC(=O)C(C)C
• Canonical SMILES: CC(C(=O)NCCN=[N+]=[N-])C
• InChI: InChI=1S/C6H12N4O/c1-5(2)6(11)8-3-4-9-10-7/h5H,3-4H2,1-2H3,(H,8,11)
• InChIKey: YDCFSSSQDZUIES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-azidoethyl)-2-methylpropanamide
• IUPAC Traditional name: N-(2-azidoethyl)-2-methylpropanamide
• Synonyms: N-(2-azidoethyl)-2-methylpropanamide

Database IDs

• MDL Number: MFCD14638483
• PubChem SID: 164299714
• PubChem CID: 61343956

CALCULATED PROPERTIES

• Acid pKa: 15.525586
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.4531062
• LogD (pH = 7.4): 0.4531066
• Log P: 0.56715226
• Molar Refractivity: 41.1488 cm^3
• Polarizability: 15.3088045 Å^3
• Polar Surface Area: 58.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.105

Product Information

• Purity: 95%