3-[(2-Thienylmethyl)amino]benzoic acid

Base Information

• Chemical Name: 3-[(2-Thienylmethyl)amino]benzoic acid
• CAS No.: 869947-84-2
• Molecular Formula: C12H11NO2S
• Molecular Weight: 233.29
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70358964
• Wikidata: Q82139914
• Mol file: 869947-84-2.mol

Synonyms:3-[(2-thienylmethyl)amino]benzoic acid;869947-84-2;3-(thiophen-2-ylmethylamino)benzoic acid;3-((Thiophen-2-ylmethyl)amino)benzoic acid;3-[(thiophen-2-ylmethyl)amino]benzoic acid;DTXSID70358964;MFCD04528207;STK285807;AKOS000284988;3-((Thiophen-2-ylmethyl)amino)benzoicacid;AN-465/41850921;3-[(2-THIENYLMETHYL)AMINO]BENZOIC ACID 95%

Chemical Property of 3-[(2-Thienylmethyl)amino]benzoic acid

Chemical Property:

• Vapor Pressure: 2.12E-08mmHg at 25°C
• Boiling Point: 436.7°C at 760 mmHg
• Flash Point: 217.9°C
• PSA: 77.57000
• Density: 1.359g/cm³
• LogP: 3.13140
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 233.05104977
• Heavy Atom Count: 16
• Complexity: 247

Purity/Quality:

99% ^*data from raw suppliers

3-[(2-thienylmethyl)amino]benzoic acid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)NCC2=CC=CS2)C(=O)O

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