2-cycloheptylethan-1-amine

• ChemBase ID: 307400
• Molecular Formular: C9H19N
• Molecular Mass: 141.25386
• Monoisotopic Mass: 141.15174961
• SMILES: NCCC1CCCCCC1
• Canonical SMILES: NCCC1CCCCCC1
• InChI: InChI=1S/C9H19N/c10-8-7-9-5-3-1-2-4-6-9/h9H,1-8,10H2
• InChIKey: TVNJOEXFIFMSSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cycloheptylethan-1-amine
• IUPAC Traditional name: 2-cycloheptylethanamine
• Synonyms: (2-cycloheptylethyl)amine; 2-CYCLOHEPTYL-ETHYLAMINE

Database IDs

• CAS Number: 4448-84-4
• MDL Number: MFCD04114510

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7238084
• LogD (pH = 7.4): -0.29905835
• Log P: 2.300008
• Molar Refractivity: 44.9428 cm^3
• Polarizability: 18.13941 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%