4-Methyl-1H-imidazole-2-carboxaldehyde - CAS 113825-16-4
Catalog: |
BB003233 |
Product Name: |
4-Methyl-1H-imidazole-2-carboxaldehyde |
CAS: |
113825-16-4 |
Synonyms: |
1H-Imidazole-2-carboxaldehyde, 5-methyl-; 1H-Imidazole-2-carboxaldehyde, 4-methyl-; 4(5)-Methyl-1H-imidazole-2-carbaldehyde |
IUPAC Name: | 5-methyl-1H-imidazole-2-carbaldehyde |
Molecular Weight: | 110.11 |
Molecular Formula: | C5H6N2O |
Canonical SMILES: | CC1=CN=C(N1)C=O |
InChI: | InChI=1S/C5H6N2O/c1-4-2-6-5(3-8)7-4/h2-3H,1H3,(H,6,7) |
InChI Key: | AEYQOYLTLFOCHR-UHFFFAOYSA-N |
Boiling Point: | 298.8±33.0°C at 760 mmHg |
Melting Point: | 140-145°C |
Purity: | ≥95% |
Density: | 1.238±0.06 g/cm3 |
Appearance: | Light Beige Powder or White to Off-white Powder |
Storage: | Store at 2-8°C under inert gas (nitrogen or Argon) |
MDL: | MFCD05864565 |
LogP: | 0.53060 |
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-2020110008-A1 | Cyclic pentamer compounds as proprotein convertase subtilisin/kexin type 9 (pcsk9) inhibitors for the treatment of metabolic disorder | 20181127 |
CN-113166101-A | Cyclic pentameric compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders | 20181127 |
EP-3887363-A1 | Cyclic pentamer compounds as proprotein convertase subtilisin/kexin type 9 (pcsk9) inhibitors for the treatment of metabolic disorder | 20181127 |
FR-3080627-A1 | ADHESIVE COMPOSITION FOR TEXTILE AND REINFORCING TEXTILE | 20180426 |
KR-20170010898-A | Modificaton of zeolitic imidazolate frameworks and azide cross-linked mixed-matrix membranes made therefrom | 20150701 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 110.048012819 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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