N-[N-(2,6-diethylphenyl)carboximidoyl]-2,6-diethylaniline

• ChemBase ID: 112190
• Molecular Formular: C21H26N2
• Molecular Mass: 306.44454
• Monoisotopic Mass: 306.20959884
• SMILES: CCc1cccc(CC)c1N=C=Nc1c(CC)cccc1CC
• Canonical SMILES: CCc1cccc(c1N=C=Nc1c(CC)cccc1CC)CC
• InChI: InChI=1S/C21H26N2/c1-5-16-11-9-12-17(6-2)20(16)22-15-23-21-18(7-3)13-10-14-19(21)8-4/h9-14H,5-8H2,1-4H3
• InChIKey: HKZPXAWSERLSRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[N-(2,6-diethylphenyl)carboximidoyl]-2,6-diethylaniline
• IUPAC Traditional name: N-[N-(2,6-diethylphenyl)carboximidoyl]-2,6-diethylaniline
• Synonyms: bis(2,6-DIETHYLPHENYL)CARBODIIMIDE

Database IDs

• PubChem SID: 162106626
• PubChem CID: 305889

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 7.87652
• LogD (pH = 7.4): 7.87652
• Log P: 7.87652
• Molar Refractivity: 102.4444 cm^3
• Polarizability: 37.34927 Å^3
• Polar Surface Area: 24.72 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05222857

MP Biomedicals Rare Chemical collection