Home > Compound List > Compound details
6290-05-7 molecular structure
click picture or here to close

ethyl 2-[(2-ethoxy-2-oxoethyl)amino]acetate

ChemBase ID: 148819
Molecular Formular: C8H15NO4
Molecular Mass: 189.209
Monoisotopic Mass: 189.10010797
SMILES and InChIs

SMILES:
CCOC(=O)CNCC(=O)OCC
Canonical SMILES:
CCOC(=O)CNCC(=O)OCC
InChI:
InChI=1S/C8H15NO4/c1-3-12-7(10)5-9-6-8(11)13-4-2/h9H,3-6H2,1-2H3
InChIKey:
LJDNMOCAQVXVKY-UHFFFAOYSA-N

Cite this record

CBID:148819 http://www.chembase.cn/molecule-148819.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-[(2-ethoxy-2-oxoethyl)amino]acetate
IUPAC Traditional name
ethyl 2-[(2-ethoxy-2-oxoethyl)amino]acetate
Synonyms
Diethyl 2,2'-azanediyldiacetate
Diethyl iminodiacetate
亚氨基二乙酸二乙酯
CAS Number
6290-05-7
EC Number
228-533-6
MDL Number
MFCD00041925
PubChem SID
162242993
24868097
PubChem CID
80502

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 80502 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.2322009  LogD (pH = 7.4) -0.23151657 
Log P -0.23150784  Molar Refractivity 45.898 cm3
Polarizability 18.597557 Å3 Polar Surface Area 64.63 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
208 °C(lit.) expand Show data source
Flash Point
113 °C expand Show data source
235.4 °F expand Show data source
Density
1.056 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.435(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
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
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
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
95+% expand Show data source
98% expand Show data source
Linear Formula
HN(CH2CO2C2H5)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 444049 external link
Packaging
25 mL in poly bottle
5 mL in glass bottle

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