tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate hydrochloride

• ChemBase ID: 293188
• Molecular Formular: C13H25ClN2O2
• Molecular Mass: 276.8028
• Monoisotopic Mass: 276.16045573
• SMILES: O=C(N1CCC2(CC1)CCNC2)OC(C)(C)C.Cl
• Canonical SMILES: O=C(N1CCC2(CC1)CNCC2)OC(C)(C)C.Cl
• InChI: InChI=1S/C13H24N2O2.ClH/c1-12(2,3)17-11(16)15-8-5-13(6-9-15)4-7-14-10-13;/h14H,4-10H2,1-3H3;1H
• InChIKey: WZWUCNJUMVSAJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate hydrochloride
• IUPAC Traditional name: tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate hydrochloride
• Synonyms: tert-Butyl 2,8-diazaspiro[4.5]decane-8-carboxylate hydrochloride

Database IDs

• CAS Number: 851325-42-3
• MDL Number: MFCD13185062
• PubChem SID: 180678719
• PubChem CID: 66833979

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1404605
• LogD (pH = 7.4): -1.9834101
• Log P: 1.0991415
• Molar Refractivity: 67.3294 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: 95+%