1-azaspiro[4.6]undecane hydrochloride

• ChemBase ID: 247045
• Molecular Formular: C10H20ClN
• Molecular Mass: 189.7255
• Monoisotopic Mass: 189.12842733
• SMILES: N1C2(CCCCCC2)CCC1.Cl
• Canonical SMILES: C1CCCC2(CC1)CCCN2.Cl
• InChI: InChI=1S/C10H19N.ClH/c1-2-4-7-10(6-3-1)8-5-9-11-10;/h11H,1-9H2;1H
• InChIKey: UVUVJERPEUAOEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-azaspiro[4.6]undecane hydrochloride
• IUPAC Traditional name: 1-azaspiro[4.6]undecane hydrochloride
• Synonyms: 1-azaspiro[4.6]undecane hydrochloride

Database IDs

• PubChem SID: 164302955
• PubChem CID: 71758135

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.86107165
• LogD (pH = 7.4): -0.829119
• Log P: 2.380527
• Molar Refractivity: 47.7392 cm^3
• Polarizability: 19.244478 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.926

Product Information

• Purity: 95%