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33229-89-9 molecular structure
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ethyl 2-(dimethylamino)acetate

ChemBase ID: 139929
Molecular Formular: C6H13NO2
Molecular Mass: 131.17292
Monoisotopic Mass: 131.09462866
SMILES and InChIs

SMILES:
CCOC(=O)CN(C)C
Canonical SMILES:
CCOC(=O)CN(C)C
InChI:
InChI=1S/C6H13NO2/c1-4-9-6(8)5-7(2)3/h4-5H2,1-3H3
InChIKey:
BGCNBOFPABQGNG-UHFFFAOYSA-N

Cite this record

CBID:139929 http://www.chembase.cn/molecule-139929.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-(dimethylamino)acetate
IUPAC Traditional name
ethyl 2-(dimethylamino)acetate
Synonyms
N,N-Dimethylglycine ethyl ester
Ethyl 2-(dimethylamino)acetate
N,N-二甲氨基乙酸乙酯
CAS Number
33229-89-9
EC Number
251-411-9
MDL Number
MFCD00009175
Beilstein Number
1750085
PubChem SID
162234176
24857152
24865212
PubChem CID
118412

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 118412 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.93977755  LogD (pH = 7.4) 0.11001146 
Log P 0.17085479  Molar Refractivity 35.5904 cm3
Polarizability 14.082125 Å3 Polar Surface Area 29.54 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
150-151 °C(lit.) expand Show data source
Flash Point
32 °C expand Show data source
89.6 °F expand Show data source
Density
0.928 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.413 expand Show data source
n20/D 1.413(lit.) expand Show data source
RTECS
MB9990000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
1993 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
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
10-38 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H226-H315 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1993 3/PG 3 expand Show data source
Purity
≥98.0% (GC) expand Show data source
95+% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Linear Formula
(CH3)2NCH2COOC2H5 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 284394 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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