tert-butyl 1,8-diazaspiro[4.5]decane-1-carboxylate hydrochloride

• ChemBase ID: 798033
• Molecular Formular: C13H25ClN2O2
• Molecular Mass: 276.8028
• Monoisotopic Mass: 276.16045573
• SMILES: Cl.N1(CCCC21CCNCC2)C(=O)OC(C)(C)C
• Canonical SMILES: O=C(N1CCCC21CCNCC2)OC(C)(C)C.Cl
• InChI: InChI=1S/C13H24N2O2.ClH/c1-12(2,3)17-11(16)15-10-4-5-13(15)6-8-14-9-7-13;/h14H,4-10H2,1-3H3;1H
• InChIKey: RDKNFQFBKPYPKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 1,8-diazaspiro[4.5]decane-1-carboxylate hydrochloride
• IUPAC Traditional name: tert-butyl 1,8-diazaspiro[4.5]decane-1-carboxylate hydrochloride
• Synonyms: 1,8-Diaza-spiro[4.5]decane-1-carboxylic acid tert-butyl ester hydrochloride

Database IDs

• CAS Number: 1153767-91-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.155404
• LogD (pH = 7.4): -1.4536604
• Log P: 1.0636389
• Molar Refractivity: 67.2755 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: 97%