N'-(4-methylbenzoyl)naphthalene-2-carbohydrazide

• ChemBase ID: 295510
• Molecular Formular: C19H16N2O2
• Molecular Mass: 304.34254
• Monoisotopic Mass: 304.12117776
• SMILES: Cc1ccc(cc1)C(=O)NNC(=O)c1ccc2ccccc2c1
• Canonical SMILES: Cc1ccc(cc1)C(=O)NNC(=O)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C19H16N2O2/c1-13-6-8-15(9-7-13)18(22)20-21-19(23)17-11-10-14-4-2-3-5-16(14)12-17/h2-12H,1H3,(H,20,22)(H,21,23)
• InChIKey: MZJUACPKDPRXTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(4-methylbenzoyl)naphthalene-2-carbohydrazide
• IUPAC Traditional name: N'-(4-methylbenzoyl)naphthalene-2-carbohydrazide
• Synonyms: 1-(4-Methylbenzoyl)-2-(2-naphthoyl)hydrazine; 2-(2-Naphthoyl)-1-(p-toluoyl)hydrazine; 2-(2-萘酰)-1-(对甲苯酰)肼

Database IDs

• CAS Number: 83803-95-6
• EC Number: 280-916-7
• MDL Number: MFCD00021629
• PubChem SID: 180681041
• PubChem CID: 96762

CALCULATED PROPERTIES

• Acid pKa: 13.708226
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.5915093
• LogD (pH = 7.4): 3.591509
• Log P: 3.5915093
• Molar Refractivity: 90.1642 cm^3
• Polarizability: 34.87194 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%