4-{[(5-Methyl-2-thienyl)methyl]amino}benzoic acid

Base Information

• Chemical Name: 4-{[(5-Methyl-2-thienyl)methyl]amino}benzoic acid
• CAS No.: 805994-90-5
• Molecular Formula: C13H13NO2S
• Molecular Weight: 247.31300
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10424273
• Wikidata: Q82236784
• Mol file: 805994-90-5.mol

Synonyms:805994-90-5;4-{[(5-METHYL-2-THIENYL)METHYL]AMINO}BENZOIC ACID;4-[(5-methylthiophen-2-yl)methylamino]benzoic acid;4-([(5-Methyl-2-thienyl)methyl]amino)benzoic acid;4-(((5-Methylthiophen-2-yl)methyl)amino)benzoic acid;4-{[(5-methylthiophen-2-yl)methyl]amino}benzoic acid;4-(((5-METHYLTHIEN-2-YL)METHYL)AMINO)BENZOIC ACID;SCHEMBL5362798;DTXSID10424273;MFCD04550468;STK289691;AKOS000284559;4-{[(5-Methyl-2-thienyl)methyl]amino};BS-36956;AN-465/41988528;4-(((5-Methylthiophen-2-yl)methyl)amino)benzoicacid

Chemical Property of 4-{[(5-Methyl-2-thienyl)methyl]amino}benzoic acid

Chemical Property:

• Vapor Pressure: 3.59E-08mmHg at 25°C
• Boiling Point: 430.3oC at 760 mmHg
• Flash Point: 214.1oC
• PSA: 77.57000
• Density: 1.316g/cm3
• LogP: 3.43980
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 247.06669983
• Heavy Atom Count: 17
• Complexity: 264

Purity/Quality:

98% ^*data from raw suppliers

4-{[(5-methyl-2-thienyl)methyl]amino}benzoicacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(S1)CNC2=CC=C(C=C2)C(=O)O