tert-butyl 2,6-diazaspiro[4.5]decane-6-carboxylate

• ChemBase ID: 65243
• Molecular Formular: C13H24N2O2
• Molecular Mass: 240.34186
• Monoisotopic Mass: 240.18377802
• SMILES: C12(CCNC1)CCCCN2C(=O)OC(C)(C)C
• Canonical SMILES: O=C(N1CCCCC21CCNC2)OC(C)(C)C
• InChI: InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-9-5-4-6-13(15)7-8-14-10-13/h14H,4-10H2,1-3H3
• InChIKey: HQYFHYDDVSZPPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2,6-diazaspiro[4.5]decane-6-carboxylate
• IUPAC Traditional name: tert-butyl 2,6-diazaspiro[4.5]decane-6-carboxylate
• Synonyms: 2,6-Diazaspiro[4.5]decane-6-carboxylic acid tert-butyl ester; tert-butyl 2,6-diazaspiro[4.5]decane-6-carboxylate

Database IDs

• CAS Number: 960294-16-0
• MDL Number: MFCD10700118
• PubChem SID: 162030982
• PubChem CID: 22291243

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7868896
• LogD (pH = 7.4): -1.4380873
• Log P: 1.4482479
• Molar Refractivity: 67.0111 cm^3
• Polarizability: 26.645468 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.439

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%