tert-butyl N-(3-bromo-1-cyclopropylpropyl)carbamate

• ChemBase ID: 811778
• Molecular Formular: C11H20BrNO2
• Molecular Mass: 278.186
• Monoisotopic Mass: 277.06774089
• SMILES: N(C(=O)OC(C)(C)C)C(CCBr)C1CC1
• Canonical SMILES: BrCCC(C1CC1)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C11H20BrNO2/c1-11(2,3)15-10(14)13-9(6-7-12)8-4-5-8/h8-9H,4-7H2,1-3H3,(H,13,14)
• InChIKey: PNWVQHPDIBIQBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(3-bromo-1-cyclopropylpropyl)carbamate
• IUPAC Traditional name: tert-butyl N-(3-bromo-1-cyclopropylpropyl)carbamate
• Synonyms: TERT-BUTYL (3-BROMO-1-CYCLOPROPYLPROPYL)CARBAMATE

CALCULATED PROPERTIES

• Acid pKa: 14.415259
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6169276
• LogD (pH = 7.4): 2.6169276
• Log P: 2.6169276
• Molar Refractivity: 63.5962 cm^3
• Polarizability: 24.920149 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%