3-[(2-Ethylbutanoyl)amino]-2-methylbenzoic acid

Base Information

• Chemical Name: 3-[(2-Ethylbutanoyl)amino]-2-methylbenzoic acid
• CAS No.: 890993-40-5
• Molecular Formula: C14H19NO3
• Molecular Weight: 0
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID80424205
• Wikidata: Q82236675

Synonyms:890993-40-5;3-[(2-ethylbutanoyl)amino]-2-methylbenzoic acid;3-(2-ethylbutanoylamino)-2-methylbenzoic acid;3-(2-Ethylbutanamido)-2-methylbenzoic acid;CHEMBRDG-BB 9019749;DTXSID80424205;MFCD07114963;STK520544;AKOS005455359;BS-35986;3-(2-Ethylbutanamido)-2-methylbenzoicacid;CS-0359454

Chemical Property of 3-[(2-Ethylbutanoyl)amino]-2-methylbenzoic acid

Chemical Property:

• Vapor Pressure: 1.94E-08mmHg at 25°C
• Boiling Point: 437.8°C at 760 mmHg
• Flash Point: 218.6°C
• PSA: 66.40000
• Density: 1.145g/cm³
• LogP: 3.14090
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 249.13649347
• Heavy Atom Count: 18
• Complexity: 299

Purity/Quality:

99% ^*data from raw suppliers

3-[(2-ethylbutanoyl)amino]-2-methylbenzoicacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCC(CC)C(=O)NC1=CC=CC(=C1C)C(=O)O

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