1-oxa-8-azaspiro[4.5]decan-2-one hydrochloride

• ChemBase ID: 67800
• Molecular Formular: C8H14ClNO2
• Molecular Mass: 191.65526
• Monoisotopic Mass: 191.07130637
• SMILES: O1C(=O)CCC21CCNCC2.Cl
• Canonical SMILES: O=C1CCC2(O1)CCNCC2.Cl
• InChI: InChI=1S/C8H13NO2.ClH/c10-7-1-2-8(11-7)3-5-9-6-4-8;/h9H,1-6H2;1H
• InChIKey: ULPFGPYNQZRJOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-oxa-8-azaspiro[4.5]decan-2-one hydrochloride
• IUPAC Traditional name: 1-oxa-8-azaspiro[4.5]decan-2-one hydrochloride
• Synonyms: 8-Aza-1-oxaspiro[4.5]decan-2-one hydrochloride; 1-Oxa-8-azaspiro[4.5]decan-2-one hydrochloride

Database IDs

• CAS Number: 374794-92-0
• MDL Number: MFCD11869757
• PubChem SID: 162033535
• PubChem CID: 21955127

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.5020916
• LogD (pH = 7.4): -2.8022172
• Log P: -0.2829218
• Molar Refractivity: 40.3541 cm^3
• Polarizability: 16.31348 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95+%