1-Methylimidazole-5-carboxylic Acid - CAS 41806-40-0
Catalog: |
BB024965 |
Product Name: |
1-Methylimidazole-5-carboxylic Acid |
CAS: |
41806-40-0 |
Synonyms: |
3-methyl-4-imidazolecarboxylic acid; 3-methylimidazole-4-carboxylic acid |
IUPAC Name: | 3-methylimidazole-4-carboxylic acid |
Description: | 1-Methylimidazole-5-carboxylic Acid (CAS# 41806-40-0) is a useful research chemical. |
Molecular Weight: | 126.11 |
Molecular Formula: | C5H6N2O2 |
Canonical SMILES: | CN1C=NC=C1C(=O)O |
InChI: | InChI=1S/C5H6N2O2/c1-7-3-6-2-4(7)5(8)9/h2-3H,1H3,(H,8,9) |
InChI Key: | PBEDVTDUVXFSMW-UHFFFAOYSA-N |
Boiling Point: | 399.1 °C at 760 mmHg |
Density: | 1.34 g/cm3 |
MDL: | MFCD00955677 |
LogP: | 0.11830 |
GHS Hazard Statement: | H315 (17.39%): 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 |
CN-111269183-A | Synthesis method of 4-bromo-1-methyl-1H-imidazole-5-carboxylic acid amide derivative | 20200409 |
JP-2021143175-A | Pharmaceutical composition containing an imidazolipyridinone compound | 20200312 |
JP-2021143176-A | Method for Producing Imidazopyridinone Compound | 20200312 |
WO-2021175200-A1 | Ferroptosis inhibitorsâ€"diarylamine para-acetamides | 20200302 |
JP-2021116240-A | (Hetero) Aryl imidazolone compound | 20200123 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.042927438 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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