6-azaspiro[3.5]nonane hydrochloride

• ChemBase ID: 55327
• Molecular Formular: C8H16ClN
• Molecular Mass: 161.67234
• Monoisotopic Mass: 161.0971272
• SMILES: C12(CCC1)CNCCC2.Cl
• Canonical SMILES: C1CCC2(CN1)CCC2.Cl
• InChI: InChI=1S/C8H15N.ClH/c1-3-8(4-1)5-2-6-9-7-8;/h9H,1-7H2;1H
• InChIKey: IELLPRWHLZJJIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-azaspiro[3.5]nonane hydrochloride
• IUPAC Traditional name: 6-azaspiro[3.5]nonane hydrochloride
• Synonyms: 6-Azaspiro[3.5]nonane hydrochloride

Database IDs

• MDL Number: MFCD11840372
• PubChem SID: 162060090
• PubChem CID: 49759246

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.8495787
• LogD (pH = 7.4): -1.3748237
• Log P: 1.3813041
• Molar Refractivity: 38.5039 cm^3
• Polarizability: 15.551486 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