benzyl 1-oxa-6-azaspiro[2.5]octane-6-carboxylate

• ChemBase ID: 61570
• Molecular Formular: C14H17NO3
• Molecular Mass: 247.28968
• Monoisotopic Mass: 247.12084341
• SMILES: C(=O)(N1CCC2(OC2)CC1)OCc1ccccc1
• Canonical SMILES: O=C(N1CCC2(CC1)OC2)OCc1ccccc1
• InChI: InChI=1S/C14H17NO3/c16-13(17-10-12-4-2-1-3-5-12)15-8-6-14(7-9-15)11-18-14/h1-5H,6-11H2
• InChIKey: FDDADAAYFIUZLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl 1-oxa-6-azaspiro[2.5]octane-6-carboxylate
• IUPAC Traditional name: benzyl 1-oxa-6-azaspiro[2.5]octane-6-carboxylate
• Synonyms: Benzyl 1-oxa-6-azaspiro[2.5]octane-6-carboxylate; Benzyl 6-aza-1-oxaspiro[2.5]octane-6-carboxylate; 6-Aza-1-oxaspiro[2.5]octane, N-CBZ protected

Database IDs

• CAS Number: 77211-75-7
• MDL Number: MFCD11976640
• PubChem SID: 162027311
• PubChem CID: 13016598

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.474258
• LogD (pH = 7.4): 1.474258
• Log P: 1.474258
• Molar Refractivity: 66.8916 cm^3
• Polarizability: 26.200323 Å^3
• Polar Surface Area: 42.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil

Safety Information

• Storage Warning: IRRITANT; Irritant/Store under Argon
• TSCA Listed: false

Product Information

• Purity: >95%