Methyl 2-(aminomethyl)-5-bromobenzoate

Base Information

• Chemical Name: Methyl 2-(aminomethyl)-5-bromobenzoate
• CAS No.: 1131587-85-3
• Molecular Formula: C9H10BrNO2
• Molecular Weight: 244.08
• DSSTox Substance ID: DTXSID60661010
• Wikidata: Q82577954
• Mol file: 1131587-85-3.mol

Synonyms:methyl 2-(aminomethyl)-5-bromobenzoate;1131587-85-3;Benzoic acid, 2-(aMinoMethyl)-5-broMo-, Methyl ester;DTXSID60661010;AKOS015852168;methyl2-(aminomethyl)-5-bromobenzoate;BB 0261610;CS-0440988;FT-0656555;A802796

Chemical Property of Methyl 2-(aminomethyl)-5-bromobenzoate

Chemical Property:

• PKA: 8.20±0.10(Predicted)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 242.98949
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-(aminomethyl)-5-bromobenzoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=CC(=C1)Br)CN

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