1-oxa-4-azaspiro[5.5]undecane hydrochloride

• ChemBase ID: 282662
• Molecular Formular: C9H18ClNO
• Molecular Mass: 191.69832
• Monoisotopic Mass: 191.10769188
• SMILES: C12(OCCNC1)CCCCC2.Cl
• Canonical SMILES: C1CCC2(CC1)CNCCO2.Cl
• InChI: InChI=1S/C9H17NO.ClH/c1-2-4-9(5-3-1)8-10-6-7-11-9;/h10H,1-8H2;1H
• InChIKey: GTFVSELRZMIVBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-oxa-4-azaspiro[5.5]undecane hydrochloride
• IUPAC Traditional name: 1-oxa-4-azaspiro[5.5]undecane hydrochloride
• Synonyms: 1-oxa-4-azaspiro[5.5]undecane hydrochloride

Database IDs

• MDL Number: MFCD20441639
• PubChem SID: 180668193
• PubChem CID: 54595455

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6479901
• LogD (pH = 7.4): -0.07986667
• Log P: 1.3116603
• Molar Refractivity: 44.6717 cm^3
• Polarizability: 18.067194 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 93 - 95°C
• Hydrophobicity(logP): 1.583

Product Information

• Purity: 95%