2-Amino-5-methylbenzoic Acid - CAS 2941-78-8
Catalog: |
BB020190 |
Product Name: |
2-Amino-5-methylbenzoic Acid |
CAS: |
2941-78-8 |
Synonyms: |
2-amino-5-methylbenzoic acid; 2-amino-5-methylbenzoic acid |
IUPAC Name: | 2-amino-5-methylbenzoic acid |
Description: | An impurity of cetilistart. |
Molecular Weight: | 151.16 |
Molecular Formula: | C8H9NO2 |
Canonical SMILES: | CC1=CC(=C(C=C1)N)C(=O)O |
InChI: | InChI=1S/C8H9NO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,9H2,1H3,(H,10,11) |
InChI Key: | NBUUUJWWOARGNW-UHFFFAOYSA-N |
Boiling Point: | 316.6 °C at 760 mmHg |
Melting Point: | 171-173 °C |
Purity: | > 95 % |
Density: | 1.254 g/cm3 |
Appearance: | Light-brown solid |
MDL: | MFCD00007909 |
LogP: | 1.85660 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22412600 | 20120301 | 3-Benzyl-6-methyl-2-sulfanylidene-2,3-di-hydroquinazolin-4(1H)-one | Acta crystallographica. Section E, Structure reports online |
22412717 | 20120301 | 6-Methyl-3-phenyl-2-sulfanyl-idene-1,2,3,4-tetra-hydro-quinazolin-4-one | Acta crystallographica. Section E, Structure reports online |
19820306 | 20090801 | Localized auxin biosynthesis and postembryonic root development in Arabidopsis | Plant signaling & behavior |
19212984 | 20090301 | Synthesis and cytotoxicity screening of piperazine-1-carbodithioate derivatives of 2-substituted quinazolin-4(3H)-ones | Archiv der Pharmazie |
16619282 | 20060501 | Synthesis of substituted benzylamino- and heterocyclylmethylamino carbodithioate derivatives of 4-(3H)-quinazolinone and their cytotoxic activity | Archiv der Pharmazie |
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: | 1.8 |
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