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4410-31-5 molecular structure
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2-hydroxy-2-phenylacetamide

ChemBase ID: 142232
Molecular Formular: C8H9NO2
Molecular Mass: 151.16256
Monoisotopic Mass: 151.06332853
SMILES and InChIs

SMILES:
c1ccc(cc1)C(C(=O)N)O
Canonical SMILES:
OC(c1ccccc1)C(=O)N
InChI:
InChI=1S/C8H9NO2/c9-8(11)7(10)6-4-2-1-3-5-6/h1-5,7,10H,(H2,9,11)
InChIKey:
MAGPZHKLEZXLNU-UHFFFAOYSA-N

Cite this record

CBID:142232 http://www.chembase.cn/molecule-142232.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-hydroxy-2-phenylacetamide
IUPAC Traditional name
O-hydroxy phenylacetamide
Synonyms
2-Hydroxy-2-phenylacetamide
Mandelamide
(±)-Mandelamide
2-羟基-2-苯乙酰胺
马来酰亚胺
(±)-扁桃酰胺
CAS Number
4410-31-5
MDL Number
MFCD00025495
Beilstein Number
2208677
PubChem SID
162236462
24883604
PubChem CID
73558

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 73558 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.470764  H Acceptors
H Donor LogD (pH = 5.5) 0.08889298 
LogD (pH = 7.4) 0.08888935  Log P 0.08889303 
Molar Refractivity 40.526 cm3 Polarizability 15.837317 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
132-135°C expand Show data source
133-137 °C(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36 expand Show data source
Safety Statements
26 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H315-H319 expand Show data source
GHS Precautionary statements
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
Linear Formula
C6H5CH(OH)CONH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 648744 external link
Packaging
1, 10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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