cyclooctylmethanamine hydrochloride

• ChemBase ID: 263470
• Molecular Formular: C9H20ClN
• Molecular Mass: 177.7148
• Monoisotopic Mass: 177.12842733
• SMILES: Cl.NCC1CCCCCCC1
• Canonical SMILES: NCC1CCCCCCC1.Cl
• InChI: InChI=1S/C9H19N.ClH/c10-8-9-6-4-2-1-3-5-7-9;/h9H,1-8,10H2;1H
• InChIKey: RKMCMOTUWBALMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclooctylmethanamine hydrochloride
• IUPAC Traditional name: cyclooctylmethanamine hydrochloride
• Synonyms: cyclooctylmethanamine hydrochloride

Database IDs

• MDL Number: MFCD13196090
• PubChem SID: 164319380
• PubChem CID: 45792344

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6463278
• LogD (pH = 7.4): -0.2354194
• Log P: 2.3779616
• Molar Refractivity: 44.8658 cm^3
• Polarizability: 18.13941 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.104

Product Information

• Purity: 95%