Lanthanum tris[bis(trimethylsilyl)methanide]

CAS Number: 121086-85-9
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C[Si](C)(C)[CH-][Si](C)(C)C.C[Si](C)(C)[CH-][Si](C)(C)C.C[Si](C)(C)[CH-][Si](C)(C)C.[La+3]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
La.C7H19Si2.C7H19Si2.C7H19Si2
Molecular Weight
159.4
Drug-likeness
-23.518
CAS
121086-85-9
InChI key
FUVKJUXOQKYGHU-UHFFFAOYSA-N
SMILES
C[Si](C)(C)[CH-][Si](C)(C)C.C[Si](C)(C)[CH-][Si](C)(C)C.C[Si](C)(C)[CH-][Si](C)(C)C.[La+3]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 121086-85-9
Molecule Name Lanthanum tris[bis(trimethylsilyl)methanide]
Molecular Formula La.C7H19Si2.C7H19Si2.C7H19Si2
SMILES C[Si](C)(C)[CH-][Si](C)(C)C.C[Si](C)(C)[CH-][Si](C)(C)C.C[Si](C)(C)[CH-][Si](C)(C)C.[La+3]
InChI InChI=1S/3C7H19Si2.La/c3*1-8(2,3)7-9(4,5)6;/h3*7H,1-6H3;/q3*-1;+3
InChI Key FUVKJUXOQKYGHU-UHFFFAOYSA-N
CanonicalSyTyLFy ac30dc634bc12b5e
TotalMolweight 617.11
Molecular Weight 159.4
MonoisotopicMass 159.102529
CLogP 4.1802
CLogS -1.67
TotalSurfaceArea 114.06
Drug-likeness -23.518
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.55556
Molecula Flexibility 0.8346
Molecular Complexity 0.34657
Fragments 4
Non HAtoms 9
NonCHAtoms 2
Rotatable Bond 2
Sp3Atoms 7
Symmetricatoms 6

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