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CAS Number: 105995-43-5
3,5-diamino-2-methylbenzoic acid

Structure

3,5-diamino-2-methylbenzoic acid
Name: 3,5-diamino-2-methylbenzoic acid
Synonyms:
General Information
Product Number: 105995435

CAS Registry Number 105995-43-5
Name:
Benzoic acid, 3,​5-​bis(aminomethyl)​-

 

Chemical Formula: C8H10N2O2
Exact Mass: 166.07
Molecular Weight: 166.18
m/z: 166.07 (100.0%), 167.08 (8.8%)

 

InChI:InChI=1S/C9H12N2O2/c10-4-6-1-7(5-11)3-8(2-6)9(12)13/h1-3H,4-5,10-11H2,(H,12,13)

InChI Key:VDPOXFVWUYMSLQ-UHFFFAOYSA-N

Canonical SMILES:C1=C(C=C(C=C1CN)C(=O)O)CN

Specification

98%

References

PCT Int. Appl. (2005), WO 2005054856 A1 20050616.                                 

Bioorganic & Medicinal Chemistry Letters (2006), 16(14), 3780-3783.                                 

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