Home > Compound List > Compound details
5467-71-0 molecular structure
click picture or here to close

2-amino-1-(4-chlorophenyl)ethan-1-one hydrochloride

ChemBase ID: 19026
Molecular Formular: C8H9Cl2NO
Molecular Mass: 206.06916
Monoisotopic Mass: 205.00611927
SMILES and InChIs

SMILES:
C(=O)(c1ccc(cc1)Cl)CN.Cl
Canonical SMILES:
NCC(=O)c1ccc(cc1)Cl.Cl
InChI:
InChI=1S/C8H8ClNO.ClH/c9-7-3-1-6(2-4-7)8(11)5-10;/h1-4H,5,10H2;1H
InChIKey:
OVKMQHKVUWBLSV-UHFFFAOYSA-N

Cite this record

CBID:19026 http://www.chembase.cn/molecule-19026.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-1-(4-chlorophenyl)ethan-1-one hydrochloride
IUPAC Traditional name
2-amino-1-(4-chlorophenyl)ethanone hydrochloride
Synonyms
2-Amino-1-(4-chlorophenyl)ethan-1-one hydrochloride
alpha-Amino-4'-chloroacetophenone hydrochloride
4-Chlorophenacylamine hydrochloride 95%
2-amino-1-(4-chlorophenyl)ethanone hydrochloride
2-Amino-1-(4-chlorophenyl)-1-ethanone hydrochloride
CAS Number
5467-71-0
7644-03-3
MDL Number
MFCD00193061
PubChem SID
160982333
PubChem CID
2798211

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.229092  H Acceptors
H Donor LogD (pH = 5.5) -0.5676292 
LogD (pH = 7.4) 0.9589884  Log P 1.2108082 
Molar Refractivity 44.6253 cm3 Polarizability 17.459362 Å3
Polar Surface Area 43.09 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
262 (dec) °C expand Show data source
262°C expand Show data source
277 - 279°C expand Show data source
Hydrophobicity(logP)
1.324 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>97% expand Show data source
95% expand Show data source
98% expand Show data source
Salt Data
HCl expand Show data source

DETAILS

DETAILS

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