Home > Compound List > Compound details
36961-64-5 molecular structure
click picture or here to close

2-(2-chloroethoxy)acetamide

ChemBase ID: 294078
Molecular Formular: C4H8ClNO2
Molecular Mass: 137.56482
Monoisotopic Mass: 137.02435618
SMILES and InChIs

SMILES:
O=C(N)COCCCl
Canonical SMILES:
ClCCOCC(=O)N
InChI:
InChI=1S/C4H8ClNO2/c5-1-2-8-3-4(6)7/h1-3H2,(H2,6,7)
InChIKey:
KQHRCXCLILUNBX-UHFFFAOYSA-N

Cite this record

CBID:294078 http://www.chembase.cn/molecule-294078.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-chloroethoxy)acetamide
IUPAC Traditional name
2-(2-chloroethoxy)acetamide
Synonyms
2-(2-Chloroethoxy)acetamide
CAS Number
36961-64-5
MDL Number
MFCD00800223
PubChem SID
180679609
PubChem CID
11018931

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD61213 Please log in.
Data Source Data ID
PubChem 11018931 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.720274  H Acceptors
H Donor LogD (pH = 5.5) -0.53992003 
LogD (pH = 7.4) -0.53992003  Log P -0.53992003 
Molar Refractivity 30.2626 cm3 Polarizability 11.970681 Å3
Polar Surface Area 52.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% 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