3,5-Bis((1-oxopropyl)amino)benzoic acid

Base Information

• Chemical Name: 3,5-Bis((1-oxopropyl)amino)benzoic acid
• CAS No.: 83846-87-1
• Molecular Formula: C13H16 N2 O4
• Molecular Weight: 264.27714
• European Community (EC) Number: 281-067-5
• DSSTox Substance ID: DTXSID101003947
• Nikkaji Number: J307.977E
• Wikidata: Q82998691
• Mol file: 83846-87-1.mol

Synonyms:83846-87-1;3,5-Bis((1-oxopropyl)amino)benzoic acid;EINECS 281-067-5;3,5-bis(propanoylamino)benzoic acid;3,5-BIS[(1-OXOPROPYL)AMINO]BENZOIC ACID;DTXSID101003947;HMS1590G22;3,5-Di(propionylamino)benzoic acid;STK223875;AKOS003303342;3,5-Bis[(1-hydroxypropylidene)amino]benzoic acid;SR-01000265559;SR-01000265559-1

Chemical Property of 3,5-Bis((1-oxopropyl)amino)benzoic acid

Chemical Property:

• Vapor Pressure: 2.94E-14mmHg at 25°C
• Boiling Point: 579.2°C at 760 mmHg
• Flash Point: 304.1°C
• PSA: 102.48000
• Density: 1.313g/cm³
• LogP: 3.38080
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 264.11100700
• Heavy Atom Count: 19
• Complexity: 331

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)NC1=CC(=CC(=C1)C(=O)O)NC(=O)CC

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