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CAS Number: 4389-45-1
2-amino-3-methylbenzoic acid

Structure

2-amino-3-methylbenzoic acid
Name: 2-amino-3-methylbenzoic acid
Synonyms:
General Information
Product Number: 4389451

CAS Registry Number 4389-45-1
Name:
Benzoic acid, 2-​amino-​3-​methyl-
m-Toluic acid, 2-amino- (6CI,7CI,8CI)
2-Amino-3-methylbenzoic acid
2-Amino-m-toluic acid
3-Methyl-2-aminobenzoic acid
3-Methylanthranilic acid

 

Chemical Formula: C8H9NO2
Exact Mass: 151.06
Molecular Weight: 151.16
m/z: 151.06 (100.0%), 152.07 (8.8%)

 

InChI:InChI=1S/C8H9NO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,9H2,1H3,(H,10,11)

InChI Key:WNAJXPYVTFYEST-UHFFFAOYSA-N

Canonical SMILES:CC1=CC=CC(=C1N)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 176 °C   (9)CAS
Melting Point 175-176 °C   (8)CAS
Melting Point 175-176 °C Solv: ethanol (64-17-5) (3)CAS
Melting Point 174-176 °C   (10)IC
Melting Point 174-175 °C Solv: ethanol (64-17-5) (7)IC
Melting Point 173-175 °C Solv: methanol (67-56-1); water (7732-18-5) (11)IC

Specification

98%

References
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  4. (8) Wen, Jian-Feng; Journal of Organic Chemistry 2003, V68(23), P8918-8931 CAPLUS
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  6. (10) Newman, Melvin S.; Journal of Organic Chemistry 1976, V41(21), P3356-9 CAPLUS
  7. (11) Edge, Simon J.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1982, (8), P1701-14 CAPLUS
  8. (12) Dokunikhin, N. S.; Zhurnal Obshchei Khimii 1953, V23, P606-10 CAPLUS
  9. (13) Mayer, Fritz; Archiv der Pharmazie und Berichte der Deutschen Pharmazeutischen Gesellschaft 1929, V267, P571-84 CAPLUS
  10. (14) Freundler, P.; Bulletin de la Societe Chimique de France 1907, V1, P216-27 CAPLUS
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