2-azido-N,N-diethylacetamide

• ChemBase ID: 242166
• Molecular Formular: C6H12N4O
• Molecular Mass: 156.18568
• Monoisotopic Mass: 156.10111102
• SMILES: [N+](=[N-])=NCC(=O)N(CC)CC
• Canonical SMILES: CCN(C(=O)CN=[N+]=[N-])CC
• InChI: InChI=1S/C6H12N4O/c1-3-10(4-2)6(11)5-8-9-7/h3-5H2,1-2H3
• InChIKey: BMCRHKVBHVONKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-azido-N,N-diethylacetamide
• IUPAC Traditional name: 2-azido-N,N-diethylacetamide
• Synonyms: 2-azido-N,N-diethylacetamide

Database IDs

• MDL Number: MFCD14652240
• PubChem SID: 164298076
• PubChem CID: 61373264

CALCULATED PROPERTIES

• Acid pKa: 16.887691
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.019730449
• LogD (pH = 7.4): 0.019730449
• Log P: 0.1337761
• Molar Refractivity: 41.7512 cm^3
• Polarizability: 15.3088045 Å^3
• Polar Surface Area: 49.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.351

Product Information

• Purity: 95%