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34801-09-7 molecular structure
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N-(2-aminophenyl)acetamide

ChemBase ID: 34714
Molecular Formular: C8H10N2O
Molecular Mass: 150.1778
Monoisotopic Mass: 150.07931295
SMILES and InChIs

SMILES:
N(c1c(N)cccc1)C(=O)C
Canonical SMILES:
CC(=O)Nc1ccccc1N
InChI:
InChI=1S/C8H10N2O/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5H,9H2,1H3,(H,10,11)
InChIKey:
MPXAYYWSDIKNTP-UHFFFAOYSA-N

Cite this record

CBID:34714 http://www.chembase.cn/molecule-34714.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-aminophenyl)acetamide
IUPAC Traditional name
N-(2-aminophenyl)acetamide
Synonyms
2′-Aminoacetanilide
N-(2-Aminophenyl)acetamide
N-(2-Aminophenyl)acetamide
2-(Acetamido)aniline
N-Acetylphenylene-1,2-diamine
2'-Aminoacetanilide
N-Acetyl-1,2-phenylenediamine
2'-Aminoacetanilide
2′-氨基乙酰苯胺
2'-氨基乙酰苯胺
CAS Number
34801-09-7
MDL Number
MFCD00210388
PubChem SID
160998021
24874710
PubChem CID
11149

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.172653  H Acceptors
H Donor LogD (pH = 5.5) 0.37833905 
LogD (pH = 7.4) 0.3819835  Log P 0.38203022 
Molar Refractivity 45.6214 cm3 Polarizability 16.346733 Å3
Polar Surface Area 55.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
133-137 °C(lit.) expand Show data source
133-137°C expand Show data source
133-137°C expand Show data source
Storage Warning
IRRITANT expand Show data source
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
26-36 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-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
95+% expand Show data source
98% expand Show data source
Linear Formula
CH3CONHC6H4NH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 549606 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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