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CAS 175923-07-6 LANTHANUM TRIS[BIS(TRIMETHYLSILYL)AMIDE] molecular structure lightbox
CAS RN: 175923-07-6

LANTHANUM TRIS[BIS(TRIMETHYLSILYL)AMIDE]

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6 package records5 with current stock2 grade groups
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  • Product code: starshine_CAS175923-07-6
  • Purity/Analytical Methods: >99.0%
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175923-07-6 / tris(bis(trimethylsilyl)azanide);lanthanum(3+)

Standard CAS: 175923-07-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
175923-07-6
Multi CAS
No
Molecular Formula
C18H54LaN3Si6
Molecular Weight
620.100000
Exact Mass
619.199696
SMILES
C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.[La+3]
InChI
InChI=1S/3C6H18NSi2.La/c3*1-8(2,3)7-9(4,5)6;/h3*1-6H3;/q3*-1;+3
InChIKey
ZDYNTRMQDURVDM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
150.15
TPSA
42.3

LogP / Solubility

WLOGP
9.09
MLOGP
8.05
XLogP3
9.09
Consensus LogP
8.74
Log S (ESOL)
-9.01
Class (ESOL)
Insoluble
Log S (Ali)
-11.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.95
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.05

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Flammable Corrosive
Signal
Danger
GHS Hazard Statements
H228 (100%): Flammable solid [Danger Flammable solids] H261 (100%): In contact with water releases flammable gas [Danger Substances and mixtures which in contact with water, emit flammable gases] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P210, P231+P232, P240, P241, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P402+P404, P405, and P501

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