tert-butyl 2,9-diazaspiro[5.5]undecane-2-carboxylate hydrochloride

• ChemBase ID: 287958
• Molecular Formular: C14H27ClN2O2
• Molecular Mass: 290.82938
• Monoisotopic Mass: 290.17610579
• SMILES: O=C(N1CC2(CCNCC2)CCC1)OC(C)(C)C.Cl
• Canonical SMILES: O=C(N1CCCC2(C1)CCNCC2)OC(C)(C)C.Cl
• InChI: InChI=1S/C14H26N2O2.ClH/c1-13(2,3)18-12(17)16-10-4-5-14(11-16)6-8-15-9-7-14;/h15H,4-11H2,1-3H3;1H
• InChIKey: CRHPGRDEEKJUJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2,9-diazaspiro[5.5]undecane-2-carboxylate hydrochloride
• IUPAC Traditional name: tert-butyl 2,9-diazaspiro[5.5]undecane-2-carboxylate hydrochloride
• Synonyms: 2-Boc-2,9-Diazaspiro[5.5]undecane hydrochloride

Database IDs

• CAS Number: 1023301-88-3
• PubChem SID: 180673489
• PubChem CID: 66570708

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6762936
• LogD (pH = 7.4): -0.9889348
• Log P: 1.5437101
• Molar Refractivity: 71.9304 cm^3
• Polarizability: 28.48516 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%