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41836-21-9 molecular structure
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2,2,6,6-tetramethyl-N,N,3,5-tetrakis(trimethylsilyl)-3,5-diaza-2,6-disila-4-ceraheptan-4-amine

ChemBase ID: 136708
Molecular Formular: C18H54CeN3Si6
Molecular Mass: 621.27046
Monoisotopic Mass: 620.19877094
SMILES and InChIs

SMILES:
C[Si](C)(C)N([Si](C)(C)C)[Ce](N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
Canonical SMILES:
C[Si](N([Si](C)(C)C)[Ce](N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)(C)C
InChI:
InChI=1S/3C6H18NSi2.Ce/c3*1-8(2,3)7-9(4,5)6;/h3*1-6H3;/q3*-1;+3
InChIKey:
DPCZDYUESIKMSU-UHFFFAOYSA-N

Cite this record

CBID:136708 http://www.chembase.cn/molecule-136708.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2,6,6-tetramethyl-N,N,3,5-tetrakis(trimethylsilyl)-3,5-diaza-2,6-disila-4-ceraheptan-4-amine
IUPAC Traditional name
2,2,6,6-tetramethyl-N,N,3,5-tetrakis(trimethylsilyl)-3,5-diaza-2,6-disila-4-ceraheptan-4-amine
Synonyms
1,1,1-Trimethyl-N-(trimethylsilyl)silanamine cerium(III) salt
Tris[N,N-bis(trimethylsilyl)amide]cerium(III)
三[N,N-双(三甲基硅基)酰胺]铈(III)
CAS Number
41836-21-9
MDL Number
MFCD03411241
PubChem SID
24878979
162230978
PubChem CID
4193512

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
547786 external link Add to cart Please log in.
Data Source Data ID
PubChem 4193512 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.0852274  LogD (pH = 7.4) -0.62881976 
Log P -0.0222  Molar Refractivity 116.097 cm3
Polarizability 61.59752 Å3 Polar Surface Area 9.72 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
solid expand Show data source
Melting Point
132-140 °C(lit.) expand Show data source
Flash Point
2 °C expand Show data source
35.6 °F expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
UN Number
3396 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
2 expand Show data source
Risk Statements
11-14/15-34 expand Show data source
Safety Statements
7/8-16-26-36/37/39-43-45 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H228-H261-H314 expand Show data source
GHS Precautionary statements
P210-P231 + P232-P280-P305 + P351 + P338-P310-P422 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, 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 3396 4.3/PG 2 expand Show data source
Supplemental Hazard Statements
Reacts violently with water. expand Show data source
Purity
96% expand Show data source
Linear Formula
Ce(N(Si(CH3)3)2)3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 547786 external link
Packaging
1 g in glass bottle
Application
Reactant for synthesis of:
• Amidocerium(IV) oxides1
• Sterically encumbered N-heterocyclic carbene ligands2
• Lanthanide imidodiphosphinate complexes with electroluminescent properties3
• Lanthanide complexes of an oxazoline-phenoxide hybrid chelate4Reactant for:
• One-electron oxidation to produce tetravalent cerium compounds5
• Addition-elimination reactions across the M-C bond of metal N-heterocyclic carbenes6

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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