2-cyclooctylethan-1-amine

• ChemBase ID: 307401
• Molecular Formular: C10H21N
• Molecular Mass: 155.28044
• Monoisotopic Mass: 155.16739968
• SMILES: NCCC1CCCCCCC1
• Canonical SMILES: NCCC1CCCCCCC1
• InChI: InChI=1S/C10H21N/c11-9-8-10-6-4-2-1-3-5-7-10/h10H,1-9,11H2
• InChIKey: CYLNFXZMOWHGFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclooctylethan-1-amine
• IUPAC Traditional name: 2-cyclooctylethanamine
• Synonyms: 2-CYCLOOCTYL-ETHYLAMINE; (2-cyclooctylethyl)amine

Database IDs

• CAS Number: 4744-94-9
• MDL Number: MFCD04114511

CALCULATED PROPERTIES

• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.27923977
• LogD (pH = 7.4): 0.14551033
• Log P: 2.7445767
• Molar Refractivity: 49.5438 cm^3
• Polarizability: 19.986317 Å^3
• Polar Surface Area: 26.02 Å^2

PROPERTIES

Product Information

• Purity: 98%