4-cyclohexylbutan-1-amine

• ChemBase ID: 813654
• Molecular Formular: C10H21N
• Molecular Mass: 155.28044
• Monoisotopic Mass: 155.16739968
• SMILES: C(CCCC1CCCCC1)N
• Canonical SMILES: NCCCCC1CCCCC1
• InChI: InChI=1S/C10H21N/c11-9-5-4-8-10-6-2-1-3-7-10/h10H,1-9,11H2
• InChIKey: NQJLVGQKPMVHTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclohexylbutan-1-amine
• IUPAC Traditional name: 4-cyclohexylbutan-1-amine
• Synonyms: 4-cyclohexylbutan-1-amine

Database IDs

• CAS Number: 4441-59-2

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.27941146
• LogD (pH = 7.4): 0.14036815
• Log P: 2.7445767
• Molar Refractivity: 49.5438 cm^3
• Polarizability: 19.986317 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%