N-Methyl-1-imidazolecarboxamide - CAS 72002-25-6
Catalog: |
BB034519 |
Product Name: |
N-Methyl-1-imidazolecarboxamide |
CAS: |
72002-25-6 |
Synonyms: |
N-methyl-1-imidazolecarboxamide; N-methylimidazole-1-carboxamide |
IUPAC Name: | N-methylimidazole-1-carboxamide |
Description: | N-Methyl-1-imidazolecarboxamide (CAS# 72002-25-6) is a useful Methyl Isocyanate (MIC) substitute. |
Molecular Weight: | 125.13 |
Molecular Formula: | C5H7N3O |
Canonical SMILES: | CNC(=O)N1C=CN=C1 |
InChI: | InChI=1S/C5H7N3O/c1-6-5(9)8-3-2-7-4-8/h2-4H,1H3,(H,6,9) |
InChI Key: | CWUCFKUUTSQSSZ-UHFFFAOYSA-N |
MDL: | MFCD11099725 |
LogP: | 0.27500 |
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 |
WO-2021190615-A1 | Compounds as casein kinase inhibitors | 20200327 |
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CN-113072542-A | ROR gamma t inhibitor and preparation method and application thereof | 20200106 |
WO-2020160196-A1 | Compounds and uses thereof | 20190129 |
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Complexity: | 115 |
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: | 0 |
Topological Polar Surface Area: | 46.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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