benzyl 3-azidoazetidine-1-carboxylate

• ChemBase ID: 241801
• Molecular Formular: C11H12N4O2
• Molecular Mass: 232.23858
• Monoisotopic Mass: 232.09602564
• SMILES: N1(C(=O)OCc2ccccc2)CC(N=[N+]=[N-])C1
• Canonical SMILES: O=C(N1CC(C1)N=[N+]=[N-])OCc1ccccc1
• InChI: InChI=1S/C11H12N4O2/c12-14-13-10-6-15(7-10)11(16)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
• InChIKey: VNUXPCQDTYJCEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl 3-azidoazetidine-1-carboxylate
• IUPAC Traditional name: benzyl 3-azidoazetidine-1-carboxylate
• Synonyms: benzyl 3-azidoazetidine-1-carboxylate

Database IDs

• MDL Number: MFCD22565929
• PubChem SID: 164297711
• PubChem CID: 71756881

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.665267
• LogD (pH = 7.4): 1.665267
• Log P: 1.7793126
• Molar Refractivity: 60.7815 cm^3
• Polarizability: 23.007673 Å^3
• Polar Surface Area: 58.97 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.904

Product Information

• Purity: 95%