10-azabicyclo[4.3.1]decane hydrochloride

• ChemBase ID: 55146
• Molecular Formular: C9H18ClN
• Molecular Mass: 175.69892
• Monoisotopic Mass: 175.11277726
• SMILES: C1C2NC(CC1)CCCC2.Cl
• Canonical SMILES: C1CCC2NC(C1)CCC2.Cl
• InChI: InChI=1S/C9H17N.ClH/c1-2-5-9-7-3-6-8(4-1)10-9;/h8-10H,1-7H2;1H
• InChIKey: IGQSWMHPHCELJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-azabicyclo[4.3.1]decane hydrochloride
• IUPAC Traditional name: 10-azabicyclo[4.3.1]decane hydrochloride
• Synonyms: 10-Azabicyclo[4.3.1]decane hydrochloride

Database IDs

• CAS Number: 282-57-5
• MDL Number: MFCD13248662
• PubChem SID: 162059909
• PubChem CID: 45595819

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1653274
• LogD (pH = 7.4): -0.8980363
• Log P: 2.0719566
• Molar Refractivity: 42.9188 cm^3
• Polarizability: 17.397926 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