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614-80-2 molecular structure
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N-(2-hydroxyphenyl)acetamide

ChemBase ID: 21821
Molecular Formular: C8H9NO2
Molecular Mass: 151.16256
Monoisotopic Mass: 151.06332853
SMILES and InChIs

SMILES:
N(c1c(O)cccc1)C(=O)C
Canonical SMILES:
CC(=O)Nc1ccccc1O
InChI:
InChI=1S/C8H9NO2/c1-6(10)9-7-4-2-3-5-8(7)11/h2-5,11H,1H3,(H,9,10)
InChIKey:
ADVGKWPZRIDURE-UHFFFAOYSA-N

Cite this record

CBID:21821 http://www.chembase.cn/molecule-21821.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-hydroxyphenyl)acetamide
IUPAC Traditional name
O-hydroxyacetanilide
Synonyms
2'-Hydroxyacetanilide
2-Acetamidophenol
o-ACETAMINOPHENOL
N-(2-Hydroxyphenyl)acetamide
N-(2-Hydroxyphenyl)acetamide
2-Acetamidophenol
2′-Hydroxyacetanilide
2-Acetamidophenol
2-(Acetylamino)phenol
2-(N-Acetylamino)phenol
2-Acetaminophenol
2-Hydroxyacetanilide
o-(Acetylamino)phenol
NSC 3989
2-乙酸胺基苯酚
2′-羟基乙酰苯胺
2-乙酰胺基苯酚
CAS Number
614-80-2
EC Number
210-396-9
MDL Number
MFCD00002181
Beilstein Number
607592
PubChem SID
24845009
24891161
160985128
PubChem CID
11972

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.790328  H Acceptors
H Donor LogD (pH = 5.5) 0.9071698 
LogD (pH = 7.4) 0.8901773  Log P 0.90739083 
Molar Refractivity 42.9019 cm3 Polarizability 15.817942 Å3
Polar Surface Area 49.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
205-210 °C(lit.) expand Show data source
205-210°C expand Show data source
213 - 215°C expand Show data source
Hydrophobicity(logP)
0.724 expand Show data source
Storage Warning
IRRITANT expand Show data source
RTECS
AE4025000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
36/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥97.0% (HPLC) expand Show data source
95% expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Grade
technical expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Linear Formula
CH3CONHC6H4OH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 05211371 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - A7000 external link
Packaging
25, 100 g in glass bottle
Toronto Research Chemicals - A158490 external link
An Acetaminophen (A161220) impurity.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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