4-(4-pentylcyclohexyl)aniline

• ChemBase ID: 40277
• Molecular Formular: C17H27N
• Molecular Mass: 245.40298
• Monoisotopic Mass: 245.21434987
• SMILES: c1(C2CCC(CC2)CCCCC)ccc(N)cc1
• Canonical SMILES: CCCCCC1CCC(CC1)c1ccc(cc1)N
• InChI: InChI=1S/C17H27N/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h10-15H,2-9,18H2,1H3
• InChIKey: VZNOQDBONACMDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-pentylcyclohexyl)aniline
• IUPAC Traditional name: 4-(4-pentylcyclohexyl)aniline
• Synonyms: 4-(4-Pentylcyclohexyl)aniline

Database IDs

• CAS Number: 73163-44-7
• MDL Number: MFCD00981976
• PubChem SID: 162045040
• PubChem CID: 3126251

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.2587786
• LogD (pH = 7.4): 5.323708
• Log P: 5.324603
• Molar Refractivity: 79.9026 cm^3
• Polarizability: 30.98648 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%