Home > Compound List > Compound details
43036-07-3 molecular structure
click picture or here to close

N-(4-aminophenyl)acetamide hydrochloride

ChemBase ID: 85651
Molecular Formular: C8H11ClN2O
Molecular Mass: 186.63874
Monoisotopic Mass: 186.05599066
SMILES and InChIs

SMILES:
N(c1ccc(cc1)N)C(=O)C.Cl
Canonical SMILES:
CC(=O)Nc1ccc(cc1)N.Cl
InChI:
InChI=1S/C8H10N2O.ClH/c1-6(11)10-8-4-2-7(9)3-5-8;/h2-5H,9H2,1H3,(H,10,11);1H
InChIKey:
JWCADJJPGAITCH-UHFFFAOYSA-N

Cite this record

CBID:85651 http://www.chembase.cn/molecule-85651.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-aminophenyl)acetamide hydrochloride
IUPAC Traditional name
P-aminoacetanilide hydrochloride
Synonyms
p-AMINOACETANILIDE HYDROCHLORIDE
N1-(4-aminophenyl)acetamide hydrochloride
4-Acetamidoaniline hydrochloride
N-Acetyl-1,4-phenylenediamine hydrochloride
4'-Aminoacetanilide hydrochloride
4'-氨基乙酰苯胺盐酸盐
CAS Number
43036-07-3
EC Number
256-052-1
MDL Number
MFCD00050695
Beilstein Number
3703679
PubChem SID
162072767
PubChem CID
170722

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.15776  H Acceptors
H Donor LogD (pH = 5.5) 0.36735225 
LogD (pH = 7.4) 0.3818423  Log P 0.38203022 
Molar Refractivity 45.6214 cm3 Polarizability 16.345066 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
309-312°C expand Show data source
RTECS
AD8225000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
95% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05201430 external link
MP Biomedicals Rare Chemical collection

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