2-oxa-7-azaspiro[4.5]decane hydrochloride

• ChemBase ID: 289649
• Molecular Formular: C8H16ClNO
• Molecular Mass: 177.67174
• Monoisotopic Mass: 177.09204182
• SMILES: Cl.C1CC2(CO1)CCCNC2
• Canonical SMILES: C1CCC2(CN1)COCC2.Cl
• InChI: InChI=1S/C8H15NO.ClH/c1-2-8(6-9-4-1)3-5-10-7-8;/h9H,1-7H2;1H
• InChIKey: BKIKSGHRHONONE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-oxa-7-azaspiro[4.5]decane hydrochloride
• IUPAC Traditional name: 2-oxa-7-azaspiro[4.5]decane hydrochloride
• Synonyms: 2-Oxa-7-azaspiro[4.5]decane hydrochloride

Database IDs

• CAS Number: 374795-37-6
• MDL Number: MFCD13185095
• PubChem SID: 180675180
• PubChem CID: 21955383

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9371035
• LogD (pH = 7.4): -2.3609145
• Log P: 0.2892838
• Molar Refractivity: 40.4994 cm^3
• Polarizability: 16.22448 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%