2-azaspiro[5.5]undecane hydrochloride

• ChemBase ID: 12922
• Molecular Formular: C10H20ClN
• Molecular Mass: 189.7255
• Monoisotopic Mass: 189.12842733
• SMILES: C1CCCCC21CNCCC2.Cl
• Canonical SMILES: C1CCC2(CC1)CCCNC2.Cl
• InChI: InChI=1S/C10H19N.ClH/c1-2-5-10(6-3-1)7-4-8-11-9-10;/h11H,1-9H2;1H
• InChIKey: JUTPOBZKSMBSHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-azaspiro[5.5]undecane hydrochloride
• IUPAC Traditional name: 2-azaspiro[5.5]undecane hydrochloride
• Synonyms: 2-Aza-spiro[5.5]undecane hydrochloride

Database IDs

• CAS Number: 1185298-18-3
• MDL Number: MFCD00078172
• PubChem SID: 160976229
• PubChem CID: 45074821

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.96194184
• LogD (pH = 7.4): -0.52741754
• Log P: 2.2704415
• Molar Refractivity: 47.7059 cm^3
• Polarizability: 19.244478 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false