tert-butyl 6,9-diazaspiro[4.5]decane-9-carboxylate

• ChemBase ID: 806802
• Molecular Formular: C13H24N2O2
• Molecular Mass: 240.34186
• Monoisotopic Mass: 240.18377802
• SMILES: C1CCCC21NCCN(C2)C(=O)OC(C)(C)C
• Canonical SMILES: O=C(N1CCNC2(C1)CCCC2)OC(C)(C)C
• InChI: InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-9-8-14-13(10-15)6-4-5-7-13/h14H,4-10H2,1-3H3
• InChIKey: AOFNMALRBXRCMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 6,9-diazaspiro[4.5]decane-9-carboxylate
• IUPAC Traditional name: tert-butyl 6,9-diazaspiro[4.5]decane-9-carboxylate
• Synonyms: TERT-BUTYL 6,9-DIAZASPIRO[4.5]DECANE-9-CARBOXYLATE

Database IDs

• CAS Number: 886766-37-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7263233
• LogD (pH = 7.4): 1.0055327
• Log P: 1.8328568
• Molar Refractivity: 66.7467 cm^3
• Polarizability: 26.645468 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%