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

• ChemBase ID: 245426
• Molecular Formular: C8H16ClNO
• Molecular Mass: 177.67174
• Monoisotopic Mass: 177.09204182
• SMILES: C12(NCCC2)CCOCC1.Cl
• Canonical SMILES: O1CCC2(CC1)CCCN2.Cl
• InChI: InChI=1S/C8H15NO.ClH/c1-2-8(9-5-1)3-6-10-7-4-8;/h9H,1-7H2;1H
• InChIKey: GGZFYTDIYOCZCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD23144063
• PubChem SID: 164301336
• PubChem CID: 71757710

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.143153
• LogD (pH = 7.4): -3.071483
• 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

Physical Property

• Melting Point: 174 - 176°C
• Hydrophobicity(logP): -0.032

Product Information

• Purity: 95%