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CAS Number: 66315-16-0
methyl 3-amino-4-(methylamino)benzoate

Structure

methyl 3-amino-4-(methylamino)benzoate
Name: methyl 3-amino-4-(methylamino)benzoate
Synonyms:
General Information
Product Number: 66315160
CAS Registry Number: 66315-16-0
Name:
        Benzoic acid, 3-​amino-​4-​(methylamino)​-​, methyl ester
        3-​Amino-​4-​methylaminobenzoic acid methyl ester; Methyl 3-​amino-​4-​(methylamino)​benzoate 
 
Chemical Formula: C9H12N2O2
Exact Mass: 180.09
Molecular Weight: 180.20
m/z: 180.09 (100.0%), 181.09 (10.5%)
Elemental Analysis: C, 59.99; H, 6.71; N, 15.55; O, 17.76
 
InChI: InChI=1S/C9H12N2O2/c1-11-8-4-3-6(5-7(8)10)9(12)13-2/h3-5,11H,10H2,1-2H3
InChIKey: UOQRESVEXATCGD-UHFFFAOYSA-N
Canonical SMILES : CNC1=C(C=C(C=C1)C(=O)OC)N
 
Thermal Properties Value Condition Note
Melting Point 99-100 °C   (1)CAS
 

Specification

98%

References
  1. (1) Oezden, Seckin; Bioorganic & Medicinal Chemistry 2005, V13(5), P1587-1597 CAPLUS
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