2,8-diazaspiro[4.5]decan-1-one hydrochloride

• ChemBase ID: 288218
• Molecular Formular: C8H15ClN2O
• Molecular Mass: 190.6705
• Monoisotopic Mass: 190.08729079
• SMILES: Cl.O=C1NCCC21CCNCC2
• Canonical SMILES: O=C1NCCC21CCNCC2.Cl
• InChI: InChI=1S/C8H14N2O.ClH/c11-7-8(3-6-10-7)1-4-9-5-2-8;/h9H,1-6H2,(H,10,11);1H
• InChIKey: DLQSUWJKWQAKJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,8-diazaspiro[4.5]decan-1-one hydrochloride
• IUPAC Traditional name: 2,8-diazaspiro[4.5]decan-1-one hydrochloride
• Synonyms: 2,8-Diazaspiro[4.5]decan-1-one hydrochloride

Database IDs

• CAS Number: 832710-65-3
• PubChem SID: 180673749
• PubChem CID: 42614558

CALCULATED PROPERTIES

• Acid pKa: 14.742253
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.8454344
• LogD (pH = 7.4): -3.2401705
• Log P: -0.62055296
• Molar Refractivity: 42.5636 cm^3
• Polarizability: 16.74643 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%