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3616-56-6 molecular structure
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(2,2-diethoxyethyl)dimethylamine

ChemBase ID: 91058
Molecular Formular: C8H19NO2
Molecular Mass: 161.24196
Monoisotopic Mass: 161.14157885
SMILES and InChIs

SMILES:
O(C(CN(C)C)OCC)CC
Canonical SMILES:
CCOC(CN(C)C)OCC
InChI:
InChI=1S/C8H19NO2/c1-5-10-8(11-6-2)7-9(3)4/h8H,5-7H2,1-4H3
InChIKey:
SSFAUOAQOOISRQ-UHFFFAOYSA-N

Cite this record

CBID:91058 http://www.chembase.cn/molecule-91058.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2,2-diethoxyethyl)dimethylamine
IUPAC Traditional name
(2,2-diethoxyethyl)dimethylamine
Synonyms
2,2-Diethoxy-N,N-dimethylethanamine
2-(Dimethylamino)acetaldehyde diethylacetal
Dimethylaminoacetaldehyde diethyl acetal
2,2-Diethoxy-N,N-dimethylethylamine
(Dimethylamino)acetaldehyde diethyl acetal
2,2-Diethoxy-N,N-dimethylethanamine
二甲氨基乙醛缩二乙醇
2,2-二乙氧基-N,N-二甲基乙胺
CAS Number
3616-56-6
EC Number
222-800-0
MDL Number
MFCD00009232
Beilstein Number
1739149
PubChem SID
162077762
24893424
PubChem CID
77163

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.4622971  LogD (pH = 7.4) 0.31127676 
Log P 1.1357124  Molar Refractivity 46.3099 cm3
Polarizability 18.374706 Å3 Polar Surface Area 21.7 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
164-166°C expand Show data source
170 °C(lit.) expand Show data source
64-66°C expand Show data source
Flash Point
113 °F expand Show data source
45 °C expand Show data source
45°C(113°F) expand Show data source
Density
0.876 expand Show data source
0.883 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4115 expand Show data source
n20/D 1.411(lit.) expand Show data source
Storage Warning
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
1993 expand Show data source
UN1993 expand Show data source
MSDS Link
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
III expand Show data source
Risk Statements
10-36/37/38 expand Show data source
Safety Statements
16-26-36/37/39 expand Show data source
26-37 expand Show data source
TSCA Listed
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-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P280G-P305+P351+P338 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
95% expand Show data source
95+% expand Show data source
97% expand Show data source
Linear Formula
(C2H5O)2CHCH2N(CH3)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - D138800 external link
Packaging
25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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