N'-(4-methoxybenzoyl)naphthalene-1-carbohydrazide

• ChemBase ID: 295506
• Molecular Formular: C19H16N2O3
• Molecular Mass: 320.34194
• Monoisotopic Mass: 320.11609238
• SMILES: COc1ccc(cc1)C(=O)NNC(=O)c1cccc2c1cccc2
• Canonical SMILES: COc1ccc(cc1)C(=O)NNC(=O)c1cccc2c1cccc2
• InChI: InChI=1S/C19H16N2O3/c1-24-15-11-9-14(10-12-15)18(22)20-21-19(23)17-8-4-6-13-5-2-3-7-16(13)17/h2-12H,1H3,(H,20,22)(H,21,23)
• InChIKey: MTZHJEBRPLTJNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(4-methoxybenzoyl)naphthalene-1-carbohydrazide
• IUPAC Traditional name: N'-(4-methoxybenzoyl)naphthalene-1-carbohydrazide
• Synonyms: 1-(4-Methoxybenzoyl)-2-(1-naphthoyl)hydrazine; 1-(4-甲氧苯甲酰基)-2-(1-萘甲酰基)-肼

Database IDs

• CAS Number: 331636-68-1
• MDL Number: MFCD00021530
• PubChem SID: 180681037
• PubChem CID: 96764

CALCULATED PROPERTIES

• Acid pKa: 13.797751
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.9204166
• LogD (pH = 7.4): 2.9204166
• Log P: 2.9204166
• Molar Refractivity: 91.5862 cm^3
• Polarizability: 35.608967 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 187-190°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• 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%