3-{[(3-Methyl-2-thienyl)methyl]amino}benzoic acid

Base Information

• Chemical Name: 3-{[(3-Methyl-2-thienyl)methyl]amino}benzoic acid
• CAS No.: 869950-52-7
• Molecular Formula: C13H13NO2S
• Molecular Weight: 247.31
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70359451
• Wikidata: Q82140662
• Mol file: 869950-52-7.mol

Synonyms:869950-52-7;3-{[(3-methyl-2-thienyl)methyl]amino}benzoic acid;3-(((3-Methylthiophen-2-yl)methyl)amino)benzoic acid;3-[(3-methylthiophen-2-yl)methylamino]benzoic acid;3-{[(3-methylthiophen-2-yl)methyl]amino}benzoic acid;DTXSID70359451;MFCD04508910;STK285813;AKOS000284675;3-{[(3-Methyl-2-thienyl)methyl]amino};BS-36089;CS-0322198;AN-465/41851596;3-(((3-Methylthiophen-2-yl)methyl)amino)benzoicacid

Chemical Property of 3-{[(3-Methyl-2-thienyl)methyl]amino}benzoic acid

Chemical Property:

• Vapor Pressure: 8.62E-09mmHg at 25°C
• Boiling Point: 447.5°C at 760 mmHg
• Flash Point: 224.4°C
• 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: 272

Purity/Quality:

98% ^*data from raw suppliers

3-(((3-Methylthiophen-2-yl)methyl)amino)benzoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC=C1)CNC2=CC=CC(=C2)C(=O)O