1-oxa-8-azaspiro[4.5]decane hydrochloride

• ChemBase ID: 65355
• Molecular Formular: C8H16ClNO
• Molecular Mass: 177.67174
• Monoisotopic Mass: 177.09204182
• SMILES: C1CCC2(O1)CCNCC2.Cl
• Canonical SMILES: N1CCC2(CC1)CCCO2.Cl
• InChI: InChI=1S/C8H15NO.ClH/c1-2-8(10-7-1)3-5-9-6-4-8;/h9H,1-7H2;1H
• InChIKey: LAAJAVVOPJHOHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-oxa-8-azaspiro[4.5]decane hydrochloride
• IUPAC Traditional name: 1-oxa-8-azaspiro[4.5]decane hydrochloride
• Synonyms: 1-Oxa-8-azaspiro[4.5]decane hydrochloride

Database IDs

• CAS Number: 3970-79-4
• MDL Number: MFCD11042294
• PubChem SID: 162031094
• PubChem CID: 21934981

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1213858
• LogD (pH = 7.4): -2.422842
• Log P: 0.09787381
• Molar Refractivity: 40.5995 cm^3
• Polarizability: 16.22448 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Purity: 94%; 95+%