1-Methylimidazole-4-carbaldehyde - CAS 17289-26-8
Catalog: |
BB012870 |
Product Name: |
1-Methylimidazole-4-carbaldehyde |
CAS: |
17289-26-8 |
Synonyms: |
1-methyl-4-imidazolecarboxaldehyde; 1-methylimidazole-4-carbaldehyde |
IUPAC Name: | 1-methylimidazole-4-carbaldehyde |
Description: | 1-Methyl-1H-imidazole-4-carbaldehyde (CAS# 17289-26-8) was identified in the methanolic extract of red Vitis Vinifera peel. |
Molecular Weight: | 110.11 |
Molecular Formula: | C5H6N2O |
Canonical SMILES: | CN1C=C(N=C1)C=O |
InChI: | InChI=1S/C5H6N2O/c1-7-2-5(3-8)6-4-7/h2-4H,1H3 |
InChI Key: | CQZXDIHVSPZIGF-UHFFFAOYSA-N |
Boiling Point: | 300.1 °C at 760 mmHg |
Density: | 1.14 g/cm3 |
Appearance: | Light yellow solid |
MDL: | MFCD03411957 |
LogP: | 0.23260 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
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 |
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Complexity: | 94.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 110.048012819 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 110.048012819 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 34.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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