Benzaldehyde semicarbazone - CAS 1574-10-3
Catalog: |
BB011320 |
Product Name: |
Benzaldehyde semicarbazone |
CAS: |
1574-10-3 |
Synonyms: |
[(E)-benzylideneamino]urea |
IUPAC Name: | [(E)-benzylideneamino]urea |
Description: | Intermediate in the preparation of 1-Amino Hydantoin. |
Molecular Weight: | 163.18 |
Molecular Formula: | C8H9N3O |
Canonical SMILES: | C1=CC=C(C=C1)C=NNC(=O)N |
InChI: | InChI=1S/C8H9N3O/c9-8(12)11-10-6-7-4-2-1-3-5-7/h1-6H,(H3,9,11,12)/b10-6+ |
InChI Key: | AKGUXECGGCUDCV-UXBLZVDNSA-N |
Melting Point: | 213.5-217.5 °C (lit.) |
Purity: | 95 % |
Density: | 1.19 g/cm3 |
Appearance: | White solid |
MDL: | MFCD00025400 |
LogP: | 1.78000 |
Publication Number | Title | Priority Date |
CN-111372915-A | Process for producing semicarbazide compound | 20180612 |
CN-111372915-B | Process for producing semicarbazide compound | 20180612 |
CN-108558756-B | 2-aryl-2, 3-dihydro-4 (1H) -quinolinone semicarbazone compound and application thereof | 20180525 |
WO-2019055493-A1 | METHODS AND CHEMICAL SUBSTANCES FOR TREATMENT OF MEK-RELATED PATHOLOGIES | 20170912 |
CN-103172623-A | Preparations and applications of thienyl group-containing pyrazolone derivative and its polymer film | 20130306 |
PMID | Publication Date | Title | Journal |
22357114 | 20120401 | Influence of susceptibility to hydrolysis and hydrophobicity of arylsemicarbazones on their anti-nociceptive and anti-inflammatory activities | European journal of medicinal chemistry |
20093185 | 20100318 | Pre-clinical pharmacokinetics evaluation of an anticonvulsant candidate benzaldehyde semicarbazone free and included in beta-cyclodextrin | European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences |
16600310 | 20060627 | Antinociceptive, antiedematogenic and antiangiogenic effects of benzaldehyde semicarbazone | Life sciences |
12639143 | 20030324 | Unprecedented chemical transformation of benzaldehyde semicarbazone mediated by osmium | Inorganic chemistry |
12163008 | 20020816 | An effective anticonvulsant prepared following a host-guest strategy that uses hydroxypropyl-beta-cyclodextrin and benzaldehyde semicarbazone | Biochemical and biophysical research communications |
Complexity: | 173 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 163.074561919 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.074561919 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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