tert-butyl N-(2-azidoethyl)carbamate

• ChemBase ID: 238422
• Molecular Formular: C7H14N4O2
• Molecular Mass: 186.21166
• Monoisotopic Mass: 186.11167571
• SMILES: [N+](=[N-])=NCCNC(=O)OC(C)(C)C
• Canonical SMILES: O=C(OC(C)(C)C)NCCN=[N+]=[N-]
• InChI: InChI=1S/C7H14N4O2/c1-7(2,3)13-6(12)9-4-5-10-11-8/h4-5H2,1-3H3,(H,9,12)
• InChIKey: KHZVCESAQNHHKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(2-azidoethyl)carbamate
• IUPAC Traditional name: tert-butyl N-(2-azidoethyl)carbamate
• Synonyms: tert-butyl N-(2-azidoethyl)carbamate

Database IDs

• MDL Number: MFCD18207539
• PubChem SID: 164294332
• PubChem CID: 22323692

CALCULATED PROPERTIES

• Acid pKa: 14.690889
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.88283527
• LogD (pH = 7.4): 0.88283527
• Log P: 0.99688095
• Molar Refractivity: 47.3766 cm^3
• Polarizability: 17.879366 Å^3
• Polar Surface Area: 67.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.281

Product Information

• Purity: 95%