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137203-34-0 molecular structure
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1,4-diazabicyclo[2.2.2]octane; bis(trimethylalumane)

ChemBase ID: 140858
Molecular Formular: C12H30Al2N2
Molecular Mass: 256.343076
Monoisotopic Mass: 256.20397623
SMILES and InChIs

SMILES:
C[Al](C)C.C[Al](C)C.C1CN2CCN1CC2
Canonical SMILES:
C1CN2CCN1CC2.C[Al](C)C.C[Al](C)C
InChI:
InChI=1S/C6H12N2.6CH3.2Al/c1-2-8-5-3-7(1)4-6-8;;;;;;;;/h1-6H2;6*1H3;;
InChIKey:
WSTAITCRSVOCTK-UHFFFAOYSA-N

Cite this record

CBID:140858 http://www.chembase.cn/molecule-140858.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,4-diazabicyclo[2.2.2]octane; bis(trimethylalumane)
IUPAC Traditional name
dabco; bis(trimethylaluminium)
Synonyms
DABAL-Me3
Bis(trimethylaluminum)-DABCO® adduct
DABAL-trimethylaluminum
Triethylenediaminine bis(trimethylaluminum)
Bis(trimethylaluminum)-1,4-diazabicyclo[2.2.2]octane adduct
三亚乙基二胺基双三甲基铝
双(三甲基铝)-DABCO® 加合物
双(三甲基铝)-1,4-二氮杂双环[2.2.2]辛烷加合物
DABAL-三甲基铝
CAS Number
137203-34-0
MDL Number
MFCD09265160
PubChem SID
24885678
162235096
PubChem CID
16688366

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
682101 external link Add to cart Please log in.
Data Source Data ID
PubChem 16688366 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.7987516  LogD (pH = 7.4) -2.8268335 
Log P -0.1342359  Molar Refractivity 34.0692 cm3
Polarizability 13.381781 Å3 Polar Surface Area 6.48 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
>250 °C expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
3395 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
4.3 expand Show data source
Packing Group
1 expand Show data source
Risk Statements
14-15-22-36/37/38 expand Show data source
Safety Statements
16-26-43 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
H260-H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P223-P231 + P232-P261-P305 + P351 + P338-P370 + P378-P422 expand Show data source
Personal Protective Equipment
Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3395 4.3/PG 1 expand Show data source
Supplemental Hazard Statements
Reacts violently with water. expand Show data source
Linear Formula
(CH3)3Al · C6H12N2 · Al(CH3)3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 682101 external link
Application
A more stable alternative to trimethylaluminum for use in numerous reactions including methylations of aldehydes and imines, methylations of aryl and vinyl halides, conjugate addition to enones, and amide bond formation.1
DABAL-Me3: An Air Stable "Methyl Anion"
Packaging
1, 5 g in glass bottle
General description
Product is air and moisture sensitive. Handle and store under a dry, inert atmosphere.
Legal Information
DABCO is a registered trademark of Air Products & Chemicals, Inc.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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