4-cyclohexylaniline

• ChemBase ID: 85599
• Molecular Formular: C12H17N
• Molecular Mass: 175.27008
• Monoisotopic Mass: 175.13609955
• SMILES: Nc1ccc(cc1)C1CCCCC1
• Canonical SMILES: Nc1ccc(cc1)C1CCCCC1
• InChI: InChI=1S/C12H17N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5,13H2
• InChIKey: JLNMBIKJQAKQBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclohexylaniline
• IUPAC Traditional name: benzenamine, 4-cyclohexyl-
• Synonyms: 4-Cyclohexylaniline; 4-Cyclohexylaniline; 4-环己基苯胺

Database IDs

• CAS Number: 6373-50-8
• EC Number: 228-918-9
• MDL Number: MFCD00001454
• Beilstein Number: 2965799
• PubChem SID: 162072715
• PubChem CID: 80764

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1837814
• LogD (pH = 7.4): 3.2582707
• Log P: 3.259309
• Molar Refractivity: 56.95 cm^3
• Polarizability: 21.75184 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 52-56°C
• Boiling Point: 166°C/13mm

Safety Information

• Storage Warning: Harmful
• European Hazard Symbols: X
• Risk Statements: 21/22
• Safety Statements: 36/37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H312
• GHS Precautionary statements: P280H

Product Information

• Purity: 97%