N-methylcyclooctanamine hydrochloride

• ChemBase ID: 293058
• Molecular Formular: C9H20ClN
• Molecular Mass: 177.7148
• Monoisotopic Mass: 177.12842733
• SMILES: CNC1CCCCCCC1.Cl
• Canonical SMILES: CNC1CCCCCCC1.Cl
• InChI: InChI=1S/C9H19N.ClH/c1-10-9-7-5-3-2-4-6-8-9;/h9-10H,2-8H2,1H3;1H
• InChIKey: FRUOQNUQIWXFHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylcyclooctanamine hydrochloride
• IUPAC Traditional name: N-methylcyclooctanamine hydrochloride
• Synonyms: N-Methylcyclooctanamine hydrochloride

Database IDs

• CAS Number: 34243-03-3
• PubChem SID: 180678589
• PubChem CID: 66570667

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7423005
• LogD (pH = 7.4): -0.49851313
• Log P: 2.4955294
• Molar Refractivity: 44.9096 cm^3
• Polarizability: 18.13941 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%