1-N-cyclohexylbenzene-1,4-diamine

• ChemBase ID: 266743
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: N(c1ccc(N)cc1)C1CCCCC1
• Canonical SMILES: Nc1ccc(cc1)NC1CCCCC1
• InChI: InChI=1S/C12H18N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h6-9,11,14H,1-5,13H2
• InChIKey: UZARQBVTRHEUOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N-cyclohexylbenzene-1,4-diamine
• IUPAC Traditional name: 1-N-cyclohexylbenzene-1,4-diamine
• Synonyms: 1-N-cyclohexylbenzene-1,4-diamine

Database IDs

• MDL Number: MFCD00997210
• PubChem SID: 164322653
• PubChem CID: 2771376

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.98807436
• LogD (pH = 7.4): 2.2864602
• Log P: 2.4163685
• Molar Refractivity: 61.9664 cm^3
• Polarizability: 22.950144 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.445

Product Information

• Purity: 95%