2-Amino-3-methylbenzoic acid - CAS 4389-45-1
Catalog: |
BB025489 |
Product Name: |
2-Amino-3-methylbenzoic acid |
CAS: |
4389-45-1 |
Synonyms: |
2-amino-3-methylbenzoic acid; 2-amino-3-methylbenzoic acid |
IUPAC Name: | 2-amino-3-methylbenzoic acid |
Description: | 2-Amino-3-methylbenzoic Acid (CAS# 4389-45-1) is a metabolite of Lidocaine (L397800), an antiarrythmic drug that is used to treat patients with ventricular fibrillation. 2-Amino-3-methylbenzoic acid has potential herbicidal activity, and is also used as a reagent to synthesize Ropicavaine (R675000), a local anasthetic. |
Molecular Weight: | 151.16 |
Molecular Formula: | C8H9NO2 |
Canonical SMILES: | CC1=CC=CC(=C1N)C(=O)O |
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 |
Boiling Point: | 315.1 ℃ at 760 mmHg |
Purity: | 98.0% |
Density: | 1.254 g/cm3 |
MDL: | MFCD00007745 |
LogP: | 1.85660 |
GHS Hazard Statement: | H302 (85.42%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113480518-A | Method for synthesizing chlorantraniliprole | 20210708 |
CN-112979506-A | Synthesis method of 2-chlorosulfonyl-3-methyl benzoate | 20210518 |
CN-112979506-B | Synthesis method of 2-chlorosulfonyl-3-methyl benzoate | 20210518 |
CN-112778147-A | Preparation method of 2-amino-3-methyl-5-chlorobenzoic acid | 20201230 |
CN-112457209-A | Improved synthesis process of 2-amino-5-chloro-N, 3-dimethylbenzamide | 20201207 |
PMID | Publication Date | Title | Journal |
15002967 | 20040301 | Agonists of the follicle stimulating hormone receptor from an encoded thiazolidinone library | Journal of combinatorial chemistry |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.063328530 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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