tert-butyl N-cyclopropylcarbamate

• ChemBase ID: 69439
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: N(C1CC1)C(=O)OC(C)(C)C
• Canonical SMILES: O=C(OC(C)(C)C)NC1CC1
• InChI: InChI=1S/C8H15NO2/c1-8(2,3)11-7(10)9-6-4-5-6/h6H,4-5H2,1-3H3,(H,9,10)
• InChIKey: WFFGQLYKMWGXMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-cyclopropylcarbamate
• IUPAC Traditional name: tert-butyl N-cyclopropylcarbamate
• Synonyms: tert-butyl cyclopropylcarbamate; N-Boc-Cyclopropylamine; tert-Butyl cyclopropylcarbamate; Cyclopropylamine, N-BOC protected

Database IDs

• CAS Number: 132844-48-5
• MDL Number: MFCD09701238
• PubChem SID: 162035165
• PubChem CID: 15698228

CALCULATED PROPERTIES

• Acid pKa: 15.270473
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.332203
• LogD (pH = 7.4): 1.332203
• Log P: 1.332203
• Molar Refractivity: 42.003 cm^3
• Polarizability: 16.65312 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 62 - 64°C
• Hydrophobicity(logP): 1.433

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%