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13429-10-2 molecular structure
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N-(2-hydroxy-4-methylphenyl)acetamide

ChemBase ID: 34609
Molecular Formular: C9H11NO2
Molecular Mass: 165.18914
Monoisotopic Mass: 165.0789786
SMILES and InChIs

SMILES:
c1c(cc(c(c1)NC(=O)C)O)C
Canonical SMILES:
CC(=O)Nc1ccc(cc1O)C
InChI:
InChI=1S/C9H11NO2/c1-6-3-4-8(9(12)5-6)10-7(2)11/h3-5,12H,1-2H3,(H,10,11)
InChIKey:
HTVPAACTHAQQAS-UHFFFAOYSA-N

Cite this record

CBID:34609 http://www.chembase.cn/molecule-34609.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-hydroxy-4-methylphenyl)acetamide
IUPAC Traditional name
N-(2-hydroxy-4-methylphenyl)acetamide
Synonyms
N-(2-Hydroxy-4-methylphenyl)acetamide
2′-Hydroxy-p-acetotoluidide
2′-羟基-对乙酰苯胺
CAS Number
13429-10-2
MDL Number
MFCD00012061
PubChem SID
160997916
PubChem CID
83437

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.890632  H Acceptors
H Donor LogD (pH = 5.5) 1.4206368 
LogD (pH = 7.4) 1.407091  Log P 1.4208122 
Molar Refractivity 47.9431 cm3 Polarizability 17.579395 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
166 - 168°C expand Show data source
170-172 °C(lit.) expand Show data source
Hydrophobicity(logP)
1.223 expand Show data source
Storage Warning
IRRITANT 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
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37/39 expand Show data source
TSCA Listed
false 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
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95% expand Show data source
98% expand Show data source
Linear Formula
CH3CONHC6H3(OH)CH3 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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