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CAS Number: 52130-17-3
3-amino-2-methylbenzoic acid

Structure

3-amino-2-methylbenzoic acid
Name: 3-amino-2-methylbenzoic acid
Synonyms:
General Information
Product Number: 52130173
CAS Registry Number: 52130-17-3
Name:
        Benzoic acid, 3-​amino-​2-​methyl-
        o-​Toluic acid, 3-​amino- (6CI); 2-​Methyl-​3-​aminobenzoic acid; 3-​Amino-​2-​methylbenzoic acid; 3-​Amino-​o-​toluic acid 
 
Chemical Formula: C8H9NO2
Exact Mass: 151.06
Molecular Weight: 151.16
m/z: 151.06 (100.0%), 152.07 (8.8%)
Elemental Analysis: C, 63.56; H, 6.00; N, 9.27; O, 21.17
 
InChI: InChI=1S/C8H9NO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,9H2,1H3,(H,10,11)
InChIKey: BYHMLZGICSEKIY-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C=CC=C1N)C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 187 °C   (3)CAS
Melting Point 181 °C   (4)IC
Melting Point 128 °C   (5)CAS

Specification

98%

References
  1. (1) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  2. (2) WSS: Wolfgang Robien / University of Vienna (Spectral Data were obtained from Wiley Subscription Services, Inc. (US))
  3. (3) Peltier, Daniel; Compt. rend. 1952, V235, P1660-2 CAPLUS
  4. (4) Houbion, J. A.; Organic Preparations and Procedures International 1979, V11(1), P27-32 CAPLUS
  5. (5) Maniwa, Hideo; Yakugaku Zasshi 1924, VNo. 507, P348-98 CAPLUS
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