2-Methylimidazole-4-carboxylic Acid - CAS 1457-58-5
Catalog: |
BB010001 |
Product Name: |
2-Methylimidazole-4-carboxylic Acid |
CAS: |
1457-58-5 |
Synonyms: |
2-methyl-1H-imidazole-5-carboxylic acid; 2-methyl-1H-imidazole-5-carboxylic acid |
IUPAC Name: | 2-methyl-1H-imidazole-5-carboxylic acid |
Description: | An intermediate for the preparation of heteroaryl oxadiazole derivative useful for the treatment of hyperproliferative and angiogenesis disorders. |
Molecular Weight: | 126.11 |
Molecular Formula: | C5H6N2O2 |
Canonical SMILES: | CC1=NC=C(N1)C(=O)O |
InChI: | InChI=1S/C5H6N2O2/c1-3-6-2-4(7-3)5(8)9/h2H,1H3,(H,6,7)(H,8,9) |
InChI Key: | DTUIYOVMTFYCBZ-UHFFFAOYSA-N |
Boiling Point: | 475.8 °C at 760 mmHg |
Density: | 1.404 g/cm3 |
LogP: | 0.41630 |
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 |
Publication Number | Title | Priority Date |
JP-2019099630-A | Coating agent, method of producing coating agent and method of producing coating film | 20171130 |
CN-111247135-A | Pyrimidine T-K/I-K-P inhibitor compound and application thereof | 20171017 |
TW-201922735-A | Pyrimidine TBK/IKKε inhibitor compound and use thereof | 20171017 |
WO-2019079373-A1 | PYRIMIDINE TBK / IKKε INHIBITORY COMPOUNDS AND USES THEREOF | 20171017 |
EP-3697772-A1 | Pyrimidine tbk/ikk inhibitor compounds and uses thereof | 20171017 |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 126.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.042927438 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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