3-Benzyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide

Base Information

• Chemical Name: 3-Benzyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide
• CAS No.: 16015-59-1
• Molecular Formula: C16H13 N3 O2
• Molecular Weight: 279.29
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30368665
• Wikidata: Q82155387
• ChEMBL ID: CHEMBL1597341
• Mol file: 16015-59-1.mol

Synonyms:16015-59-1;3-Benzyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide;3-benzyl-4-oxophthalazine-1-carboxamide;3-Benzyl-4-oxo-3,4-dihydro-phthalazine-1-carboxylic acid amide;HMS1754P11;MLS001176167;CHEMBL1597341;DTXSID30368665;HMS2903B19;AKOS022181811;SMR000590396;CS-0290852;EN300-05656;SR-01000042672;SR-01000042672-1;Z33546400;3-BENZYL-4-OXO-3,4-DIHYDRO-PHTHALAZINE-1-CARBOXYLICACIDAMIDE

Chemical Property of 3-Benzyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide

Chemical Property:

• Vapor Pressure: 3.82E-10mmHg at 25°C
• Boiling Point: 500.4°Cat760mmHg
• PKA: 12.05±0.20(Predicted)
• Flash Point: 256.4°C
• PSA: 77.98000
• Density: 1.32g/cm³
• LogP: 2.24400
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 279.100776666
• Heavy Atom Count: 21
• Complexity: 454

Purity/Quality:

99%min ^*data from raw suppliers

3-BENZYL-4-OXO-3,4-DIHYDRO-PHTHALAZINE-1-CARBOXYLIC ACID AMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N