2-Imidazolecarboxaldehyde - CAS 10111-08-7
Catalog: |
BB000441 |
Product Name: |
2-Imidazolecarboxaldehyde |
CAS: |
10111-08-7 |
Synonyms: |
1H-imidazole-2-carbaldehyde |
IUPAC Name: | 1H-imidazole-2-carbaldehyde |
Description: | 2-Imidazolecarboxaldehyde (CAS# 10111-08-7) is a novel PTP1b inhibitor with potential application to treat type 2 diabetes. |
Molecular Weight: | 96.09 |
Molecular Formula: | C4H4N2O |
Canonical SMILES: | C1=CN=C(N1)C=O |
InChI: | InChI=1S/C4H4N2O/c7-3-4-5-1-2-6-4/h1-3H,(H,5,6) |
InChI Key: | XYHKNCXZYYTLRG-UHFFFAOYSA-N |
Boiling Point: | 296.5 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.322 g/cm3 |
MDL: | MFCD00003544 |
LogP: | 0.22220 |
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 |
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PMID | Publication Date | Title | Journal |
22868452 | 20120828 | Ruthenium imidazole oxime carbonyls and their activities as CO-releasing molecules | Dalton transactions (Cambridge, England : 2003) |
22468924 | 20120420 | Dual Brønsted acid/nucleophilic activation of carbonylimidazole derivatives | Organic letters |
22426528 | 20120316 | Synthesis and antimicrobial activity of N'-heteroarylidene-1-adamantylcarbohydrazides and (±)-2-(1-adamantyl)-4-acetyl-5-[5-(4-substituted phenyl-3-isoxazolyl)]-1,3,4-oxadiazolines | Molecules (Basel, Switzerland) |
21721547 | 20110801 | Glyoxal in aqueous ammonium sulfate solutions: products, kinetics and hydration effects | Environmental science & technology |
21480670 | 20110518 | Metal complex mediated conjugation of peptides to nucleus targeting acridine orange: a modular concept for dual-modality imaging agents | Bioconjugate chemistry |
Complexity: | 74.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 96.032362755 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 96.032362755 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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