1-Methylimidazole-4,5-dicarboxylic Acid - CAS 19485-38-2
Catalog: |
BB015082 |
Product Name: |
1-Methylimidazole-4,5-dicarboxylic Acid |
CAS: |
19485-38-2 |
Synonyms: |
1-methylimidazole-4,5-dicarboxylic acid; 1-methylimidazole-4,5-dicarboxylic acid |
IUPAC Name: | 1-methylimidazole-4,5-dicarboxylic acid |
Description: | 1-Methylimidazole-4,5-dicarboxylic Acid (CAS# 19485-38-2) is a useful research chemical. |
Molecular Weight: | 170.12 |
Molecular Formula: | C6H6N2O4 |
Canonical SMILES: | CN1C=NC(=C1C(=O)O)C(=O)O |
InChI: | InChI=1S/C6H6N2O4/c1-8-2-7-3(5(9)10)4(8)6(11)12/h2H,1H3,(H,9,10)(H,11,12) |
InChI Key: | YARDQACXPOQDMO-UHFFFAOYSA-N |
Boiling Point: | 531.6 °C at 760 mmHg |
Density: | 1.63 g/cm3 |
Appearance: | Solid |
MDL: | MFCD01552045 |
LogP: | -0.18350 |
GHS Hazard Statement: | H302+H312+H332 (33.33%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111134409-A | Self-adaptive clothes | 20200121 |
CN-111378141-A | Force-induced response supramolecular polymer | 20190101 |
CN-111378142-A | Force-induced response supramolecular polymer | 20190101 |
CN-111378143-A | Energy absorption method based on force-induced response supramolecular polymer | 20190101 |
CN-111378145-A | Force-induced response multiphase supramolecular block polymer | 20190101 |
PMID | Publication Date | Title | Journal |
16060628 | 20050808 | Novel binding of beryllium to dicarboxyimidazole-based model compounds and polymers | Inorganic chemistry |
15877447 | 20050516 | Multinuclear Fe(III) complexes with polydentate ligands of the family of dicarboxyimidazoles: nuclearity- and topology-controlled syntheses and Magneto-structural correlations | Inorganic chemistry |
12589564 | 20030201 | Evaluating hydrogen bond interactions in enzymes containing Mn(III)-histidine complexation using manganese-imidazole complexes | Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.03275668 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.03275668 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 92.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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