2-azido-N,N-bis(2-methylpropyl)acetamide

• ChemBase ID: 240748
• Molecular Formular: C10H20N4O
• Molecular Mass: 212.292
• Monoisotopic Mass: 212.16371128
• SMILES: [N+](=[N-])=NCC(=O)N(CC(C)C)CC(C)C
• Canonical SMILES: CC(CN(C(=O)CN=[N+]=[N-])CC(C)C)C
• InChI: InChI=1S/C10H20N4O/c1-8(2)6-14(7-9(3)4)10(15)5-12-13-11/h8-9H,5-7H2,1-4H3
• InChIKey: ZQQQUZULOQGOPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-azido-N,N-bis(2-methylpropyl)acetamide
• IUPAC Traditional name: 2-azido-N,N-bis(2-methylpropyl)acetamide
• Synonyms: 2-azido-N,N-bis(2-methylpropyl)acetamide

Database IDs

• MDL Number: MFCD14652432
• PubChem SID: 164296658
• PubChem CID: 61375334

CALCULATED PROPERTIES

• Acid pKa: 16.878204
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7947209
• LogD (pH = 7.4): 1.7947209
• Log P: 1.9087665
• Molar Refractivity: 59.7424 cm^3
• Polarizability: 22.630411 Å^3
• Polar Surface Area: 49.74 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.207

Product Information

• Purity: 95%