1-Methyl-1H-imidazole-5-carboxamide - CAS 40637-81-8
Catalog: |
BB024601 |
Product Name: |
1-Methyl-1H-imidazole-5-carboxamide |
CAS: |
40637-81-8 |
Synonyms: |
3-methyl-4-imidazolecarboxamide; 3-methylimidazole-4-carboxamide |
IUPAC Name: | 3-methylimidazole-4-carboxamide |
Description: | 1-Methyl-1H-imidazole-5-carboxamide (CAS# 40637-81-8) is a useful research chemical. |
Molecular Weight: | 125.13 |
Molecular Formula: | C5H7N3O |
Canonical SMILES: | CN1C=NC=C1C(=O)N |
InChI: | InChI=1S/C5H7N3O/c1-8-3-7-2-4(8)5(6)9/h2-3H,1H3,(H2,6,9) |
InChI Key: | FFEDTKQANJQNBP-UHFFFAOYSA-N |
Boiling Point: | 444.756 °C at 760 mmHg |
Density: | 1.346 g/cm3 |
LogP: | 0.40320 |
GHS Hazard Statement: | H302 (100%): 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 |
EP-3568390-A1 | Small molecule activators of nicotinamide phosphoribosyltransferase (nampt) and uses thereof | 20170110 |
WO-2018132372-A1 | Small molecule activators of nicotinamide phosphoribosyltransferase (nampt) and uses thereof | 20170110 |
US-2021161873-A1 | Small molecule activators of nicotinamide phosphoribosyltransferase (nampt) and uses thereof | 20170110 |
JP-2020514283-A | Transglutaminase inhibitor | 20161227 |
EP-3177609-A1 | Indoles for use in influenza virus infection | 20140808 |
PMID | Publication Date | Title | Journal |
16464577 | 20060415 | Synthesis and ocular effects of imidazole nitrolic acid and amidoxime esters | Bioorganic & medicinal chemistry letters |
Complexity: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 125.058911855 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 125.058911855 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 60.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.8 |
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