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

• ChemBase ID: 71435
• Molecular Formular: C13H24N2O2
• Molecular Mass: 240.34186
• Monoisotopic Mass: 240.18377802
• SMILES: C(=O)(N1CC2(NCCCC2)CC1)OC(C)(C)C
• Canonical SMILES: O=C(N1CCC2(C1)CCCCN2)OC(C)(C)C
• InChI: InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-9-7-13(10-15)6-4-5-8-14-13/h14H,4-10H2,1-3H3
• InChIKey: LIBZZJJMJPLVQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2,6-diazaspiro[4.5]decane-2-carboxylate
• IUPAC Traditional name: tert-butyl 2,6-diazaspiro[4.5]decane-2-carboxylate
• Synonyms: tert-Butyl 2,6-diazaspiro[4.5]decane-2-carboxylate

Database IDs

• CAS Number: 1086394-55-9
• MDL Number: MFCD11223531
• PubChem SID: 162037025
• PubChem CID: 56962155

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7474409
• LogD (pH = 7.4): -0.79823416
• 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

• Melting Point: Oil

Safety Information

• Storage Warning: IRRITANT

Product Information

• Purity: >95%