2-azido-N-ethylacetamide

• ChemBase ID: 242084
• Molecular Formular: C4H8N4O
• Molecular Mass: 128.13252
• Monoisotopic Mass: 128.0698109
• SMILES: [N+](=[N-])=NCC(=O)NCC
• Canonical SMILES: [N-]=[N+]=NCC(=O)NCC
• InChI: InChI=1S/C4H8N4O/c1-2-6-4(9)3-7-8-5/h2-3H2,1H3,(H,6,9)
• InChIKey: SLTCTLNGYHAZOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14652242
• PubChem SID: 164297994
• PubChem CID: 61373265

CALCULATED PROPERTIES

• Acid pKa: 15.0473385
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.5607536
• LogD (pH = 7.4): -0.5607536
• Log P: -0.44670793
• Molar Refractivity: 32.1059 cm^3
• Polarizability: 11.671494 Å^3
• Polar Surface Area: 58.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.393

Product Information

• Purity: 95%