Mandelamide - CAS 4410-31-5
Catalog: |
BB025525 |
Product Name: |
Mandelamide |
CAS: |
4410-31-5 |
Synonyms: |
2-hydroxy-2-phenylacetamide |
IUPAC Name: | 2-hydroxy-2-phenylacetamide |
Description: | Mandelamide (CAS# 4410-31-5) is a useful research chemical. |
Molecular Weight: | 151.16 |
Molecular Formula: | C8H9NO2 |
Canonical SMILES: | C1=CC=C(C=C1)C(C(=O)N)O |
InChI: | InChI=1S/C8H9NO2/c9-8(11)7(10)6-4-2-1-3-5-6/h1-5,7,10H,(H2,9,11) |
InChI Key: | MAGPZHKLEZXLNU-UHFFFAOYSA-N |
Boiling Point: | 345.5 ℃ at 760 mmHg |
Density: | 1.246 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00025495 |
LogP: | 0.90560 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021074309-A1 | 1-(3-quinolyl)-3,4-dihydroisoquinoline derivatives as fungicides for combating specific phytopathogens | 20191016 |
WO-2021074311-A1 | 1-(3-quinolyl)-1,2,3,4-tetrahydroisoquinoline derivatives as fungicides for combating specific phytopathogens | 20191016 |
WO-2021028911-A1 | Bacterial strains having fungicidal activity, compositions comprising same and use thereof | 20190814 |
WO-2021014240-A1 | Novel agrochemical combinations | 20190725 |
WO-2020261030-A1 | Synergistic fungicide composition | 20190624 |
PMID | Publication Date | Title | Journal |
19795072 | 20091021 | Catalytic enantioselective addition of terminal alkynes to aromatic aldehydes using zinc-hydroxyamide complexes | Organic & biomolecular chemistry |
19074156 | 20090201 | Using directed evolution to probe the substrate specificity of mandelamide hydrolase | Protein engineering, design & selection : PEDS |
18327891 | 20080501 | Anisotropic and hydrogen bonding effects in phenylglyoxamides and mandelamides: theoretical and NMR conformational evaluation | Magnetic resonance in chemistry : MRC |
17939868 | 20071016 | The use of chiral lithium amides in the desymmetrisation of N-trialkylsilyl dimethyl sulfoximines | Beilstein journal of organic chemistry |
17078013 | 20070101 | Synthesis and fungicidal activity of N-2-(3-methoxy-4-propargyloxy) phenethyl amides. Part 3: stretched and heterocyclic mandelamide oomyceticides | Pest management science |
Complexity: | 141 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.063328530 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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