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CAS Number: 728945-64-0
2-amino-4-(tert-butyl)benzoic acid

Structure

2-amino-4-(tert-butyl)benzoic acid
Name: 2-amino-4-(tert-butyl)benzoic acid
Synonyms:
General Information
Product Number: 728945640
CAS Registry Number: 728945-64-0
Name:
        Benzoic acid, 2-​amino-​4-​(1,​1-​dimethylethyl)​-
        Anthranilic acid, 4-​tert-​butyl- (5CI); 2-​Amino-​4-​tert-​butylbenzoic acid 
 
Chemical Formula: C11H15NO2
Exact Mass: 193.11
Molecular Weight: 193.24
m/z: 193.11 (100.0%), 194.11 (12.3%)
Elemental Analysis: C, 68.37; H, 7.82; N, 7.25; O, 16.56
 
InChI: InChI=1S/C11H15NO2/c1-11(2,3)7-4-5-8(10(13)14)9(12)6-7/h4-6H,12H2,1-3H3,(H,13,14)
InChIKey: XLIGRZYQIUYNDR-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)C1=CC(=C(C=C1)C(=O)O)N
 
Thermal Properties Value Condition Note
Melting Point 167-168 °C Solv: water (7732-18-5); ethanol (64-17-5) (1)CAS
 

Specification

98%

References
  1. (1) Skinner, Glenn S.; Journal of the American Chemical Society 1955, V77, P5441-2 CAPLUS
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