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4637-24-5 molecular structure
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(dimethoxymethyl)dimethylamine

ChemBase ID: 85612
Molecular Formular: C5H13NO2
Molecular Mass: 119.16222
Monoisotopic Mass: 119.09462866
SMILES and InChIs

SMILES:
N(C(OC)OC)(C)C
Canonical SMILES:
COC(N(C)C)OC
InChI:
InChI=1S/C5H13NO2/c1-6(2)5(7-3)8-4/h5H,1-4H3
InChIKey:
ZSXGLVDWWRXATF-UHFFFAOYSA-N

Cite this record

CBID:85612 http://www.chembase.cn/molecule-85612.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(dimethoxymethyl)dimethylamine
IUPAC Traditional name
(dimethoxymethyl)dimethylamine
Synonyms
1,1-Dimethoxytrimethylamine
N,N-Dimethylformamide dimethyl acetal
N-dimethoxymethyl-N,N-dimethylamine
1,1-dimethoxy-N,N-dimethylmethanamine
(Dimethoxymethyl)dimethylamine
1,1-Dimethoxy-N,N-dimethylmethylamine
N,N-Dimethylformamide dimethyl acetal
1,1-二甲氧基-N,N-二甲基甲胺
1,1-二甲氧基三甲胺
N,N-二甲基甲酰胺二甲基缩醛
CAS Number
4637-24-5
EC Number
225-063-3
MDL Number
MFCD00008482
Beilstein Number
506020
PubChem SID
24864631
162072728
24848474
PubChem CID
78373

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.7442812  LogD (pH = 7.4) 0.80818295 
Log P 0.8090616  Molar Refractivity 32.314 cm3
Polarizability 12.860454 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)
Melting Point
-85°C expand Show data source
Boiling Point
102-103 °C/720 mmHg(lit.) expand Show data source
102-103°C @ 720mm expand Show data source
102-104°C expand Show data source
102-104°C expand Show data source
Flash Point
41 °F expand Show data source
5 °C expand Show data source
5°C expand Show data source
7°C(45°F) expand Show data source
Density
0.897 expand Show data source
0.897 g/ml expand Show data source
0.897 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.396 expand Show data source
1.3972 expand Show data source
n20/D 1.396 expand Show data source
n20/D 1.396(lit.) expand Show data source
Storage Condition
2-8°C, Desiccate expand Show data source
Storage Warning
Highly Flammable/Harmful/Irritant/Moisture Sensitive/Store under Argon expand Show data source
Moisture Sensitive expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1993 expand Show data source
3271 expand Show data source
UN1993 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Australian Hazchem
3YE expand Show data source
Risk Statements
11-20-36/37/38 expand Show data source
11-22-36/37/38 expand Show data source
R:11 expand Show data source
Safety Statements
16-26-36/37 expand Show data source
S:9-16-29 expand Show data source
EU Classification
F1 expand Show data source
EU Hazard Identification Number
3B expand Show data source
Emergency Response Guidebook(ERG) Number
128 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
Danger expand Show data source
GHS Hazard statements
H225-H302-H315-H319-H335 expand Show data source
H225-H332-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P210-P261-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 3271 3/PG 2 expand Show data source
Purity
≥95.0% (GC) expand Show data source
94% expand Show data source
95+% expand Show data source
97% expand Show data source
Grade
for GC derivatization expand Show data source
purum expand Show data source
technical grade expand Show data source
Certificate of Analysis
Download expand Show data source
Derivatization reagent for
Esterifications expand Show data source
Linear Formula
(CH3)2NCH(OCH3)2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02157815 external link
1 ml = approx. 0.90 g
Sigma Aldrich - 394963 external link
Application
Used in the preparation of formamidine derivatives,1,2 which are synthetic intermediates.3
Used to catalyze the coupling of epoxides with carbon dioxide under solvent free conditions leading to cyclic carbonates.
Packaging
10×1 mL in ampule
5, 25 mL in glass bottle
Sigma Aldrich - 40271 external link
Other Notes
Review1
Sigma Aldrich - 140732 external link
Application
Used in a variant of a Claisen othro-ester rearrangement.1
Packaging
25, 100, 500 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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