(Z)-N-methyl-N'-(naphthalen-2-yl)benzene-1-carboximidamide

• ChemBase ID: 252177
• Molecular Formular: C18H16N2
• Molecular Mass: 260.33304
• Monoisotopic Mass: 260.13134852
• SMILES: C(=N\c1cc2c(cc1)cccc2)(/c1ccccc1)\NC
• Canonical SMILES: CN/C(=N\c1ccc2c(c1)cccc2)/c1ccccc1
• InChI: InChI=1S/C18H16N2/c1-19-18(15-8-3-2-4-9-15)20-17-12-11-14-7-5-6-10-16(14)13-17/h2-13H,1H3,(H,19,20)
• InChIKey: TUSJQWBTBXCNFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N-methyl-N'-(naphthalen-2-yl)benzene-1-carboximidamide
• IUPAC Traditional name: (Z)-N-methyl-N'-(naphthalen-2-yl)benzene-1-carboximidamide
• Synonyms: N-methyl-N'-2-naphthylbenzenecarboximidamide

Database IDs

• MDL Number: MFCD08246141
• PubChem SID: 164308087
• PubChem CID: 9207831

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4457784
• LogD (pH = 7.4): 3.0625913
• Log P: 4.2098975
• Molar Refractivity: 85.2289 cm^3
• Polarizability: 33.10285 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.565

Product Information

• Purity: 95%