tert-butyl N-ethenylcarbamate

• ChemBase ID: 815863
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: N(C(=O)OC(C)(C)C)C=C
• Canonical SMILES: C=CNC(=O)OC(C)(C)C
• InChI: InChI=1S/C7H13NO2/c1-5-8-6(9)10-7(2,3)4/h5H,1H2,2-4H3,(H,8,9)
• InChIKey: SJDWKAHMQWSMPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-ethenylcarbamate
• IUPAC Traditional name: tert-butyl N-ethenylcarbamate
• Synonyms: TERT-BUTYL VINYLCARBAMATE

Database IDs

• CAS Number: 7150-72-3

CALCULATED PROPERTIES

• Acid pKa: 12.96847
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.3713129
• LogD (pH = 7.4): 1.3713119
• Log P: 1.371313
• Molar Refractivity: 38.484 cm^3
• Polarizability: 15.291478 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%