Home > Compound List > Compound details
621-42-1 molecular structure
click picture or here to close

N-(3-hydroxyphenyl)acetamide

ChemBase ID: 84799
Molecular Formular: C8H9NO2
Molecular Mass: 151.16256
Monoisotopic Mass: 151.06332853
SMILES and InChIs

SMILES:
N(c1cccc(c1)O)C(=O)C
Canonical SMILES:
CC(=O)Nc1cccc(c1)O
InChI:
InChI=1S/C8H9NO2/c1-6(10)9-7-3-2-4-8(11)5-7/h2-5,11H,1H3,(H,9,10)
InChIKey:
QLNWXBAGRTUKKI-UHFFFAOYSA-N

Cite this record

CBID:84799 http://www.chembase.cn/molecule-84799.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(3-hydroxyphenyl)acetamide
IUPAC Traditional name
M-hydroxyacetanilide
Synonyms
3'-Hydroxyacetanilide
3-Acetamidophenol
m-ACETAMINOPHENOL
3′-Hydroxyacetanilide
3-Acetamidophenol
N-(3-Hydroxyphenyl)acetamide
3-Acetamidophenol
N-(3-hydroxyphenyl)acetamide
3′-羟基乙酰苯胺
3-乙酰胺基苯酚
3-乙酰氨基苯酚
CAS Number
621-42-1
EC Number
210-687-0
MDL Number
MFCD00002263
Beilstein Number
907998
PubChem SID
24845013
24891188
162071915
PubChem CID
12124

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.23775  H Acceptors
H Donor LogD (pH = 5.5) 0.9073119 
LogD (pH = 7.4) 0.90116435  Log P 0.90739083 
Molar Refractivity 42.9019 cm3 Polarizability 15.816717 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
145 - 148°C expand Show data source
145-148 °C expand Show data source
145-148 °C(lit.) expand Show data source
146-149°C expand Show data source
Hydrophobicity(logP)
0.494 expand Show data source
Storage Warning
Irritant expand Show data source
RTECS
AE4100000 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
German water hazard class
2 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 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
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥98.0% (HPLC) expand Show data source
95% expand Show data source
97% expand Show data source
99% expand Show data source
Grade
technical expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
CH3CONHC6H4OH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05211377 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - A7205 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle