tert-butyl N-(1-azidopropan-2-yl)carbamate

• ChemBase ID: 237305
• Molecular Formular: C8H16N4O2
• Molecular Mass: 200.23824
• Monoisotopic Mass: 200.12732577
• SMILES: [N+](=[N-])=NCC(NC(=O)OC(C)(C)C)C
• Canonical SMILES: CC(NC(=O)OC(C)(C)C)CN=[N+]=[N-]
• InChI: InChI=1S/C8H16N4O2/c1-6(5-10-12-9)11-7(13)14-8(2,3)4/h6H,5H2,1-4H3,(H,11,13)
• InChIKey: QNBSOZHFBNUGCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(1-azidopropan-2-yl)carbamate
• IUPAC Traditional name: tert-butyl N-(1-azidopropan-2-yl)carbamate
• Synonyms: tert-butyl N-(1-azidopropan-2-yl)carbamate

Database IDs

• MDL Number: MFCD22369926
• PubChem SID: 164293215
• PubChem CID: 57024894

CALCULATED PROPERTIES

• Acid pKa: 14.455221
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2994103
• LogD (pH = 7.4): 1.2994102
• Log P: 1.413456
• Molar Refractivity: 51.7954 cm^3
• Polarizability: 19.701782 Å^3
• Polar Surface Area: 67.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.59

Product Information

• Purity: 95%