1,8,8-trimethyl-3-azabicyclo[3.2.1]octane hydrochloride

• ChemBase ID: 263861
• Molecular Formular: C10H20ClN
• Molecular Mass: 189.7255
• Monoisotopic Mass: 189.12842733
• SMILES: C1(C2(CCC1CNC2)C)(C)C.Cl
• Canonical SMILES: CC1(C)C2CNCC1(C)CC2.Cl
• InChI: InChI=1S/C10H19N.ClH/c1-9(2)8-4-5-10(9,3)7-11-6-8;/h8,11H,4-7H2,1-3H3;1H
• InChIKey: MNWDWUQDCHTKOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane hydrochloride
• IUPAC Traditional name: 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane hydrochloride
• Synonyms: 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane hydrochloride

Database IDs

• MDL Number: MFCD19442663
• PubChem SID: 164319771
• PubChem CID: 22923599

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.344092
• LogD (pH = 7.4): -0.9233958
• Log P: 1.8887745
• Molar Refractivity: 47.3982 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

• Melting Point: 290 - 292°C
• Hydrophobicity(logP): 2.806

Product Information

• Purity: 95%