Mandelamide - CAS 4410-31-5

Name: Mandelamide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB025525
Product Name:	Mandelamide
CAS:	4410-31-5
Synonyms:	2-hydroxy-2-phenylacetamide

Technical Data

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Computed Properties

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 °C at 760 mmHg
Density:	1.246 g/cm³
Appearance:	Solid
MDL:	MFCD00025495
LogP:	0.90560

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[2168559-63-3]C8H10ClNO2
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[1016519-61-1]C8H10N2O2
2-(Methyl-2-pyridylamino)acetic Acid

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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