3-[(2,2-Dimethylpropanoyl)amino]-4-methylbenzoic acid

Base Information

• Chemical Name: 3-[(2,2-Dimethylpropanoyl)amino]-4-methylbenzoic acid
• CAS No.: 915923-72-7
• Molecular Formula: C13H17NO3
• Molecular Weight: 235.28
• Hs Code.: 2924299090
• European Community (EC) Number: 801-150-7
• DSSTox Substance ID: DTXSID20588239
• Wikidata: Q82480788
• Mol file: 915923-72-7.mol

Synonyms:915923-72-7;3-[(2,2-Dimethylpropanoyl)amino]-4-methylbenzoic acid;4-Methyl-3-pivalamidobenzoic acid;3-(2,2-dimethylpropanoylamino)-4-methylbenzoic acid;3-(2,2-Dimethylpropanamido)-4-methylbenzoic acid;4-Methyl-3-pivalamidobenzoicacid;DTXSID20588239;MFCD08692001;AKOS000104509;BS-36458;CS-0366614

Chemical Property of 3-[(2,2-Dimethylpropanoyl)amino]-4-methylbenzoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 431.356°C at 760 mmHg
• Flash Point: 214.677°C
• PSA: 66.40000
• Density: 1.171g/cm³
• LogP: 2.75080
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 235.12084340
• Heavy Atom Count: 17
• Complexity: 306

Purity/Quality:

98% ^*data from raw suppliers

4-Methyl-3-pivalamidobenzoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)(C)C