CAS RN: 17882-94-9

1,3-DIETHYL-1,1,3,3-TETRAMETHYLDISILAZANE

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  • Product code: starshine_CAS17882-94-9
  • Purity/Analytical Methods: >99.0%
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17882-94-9 / [[[ethyl(dimethyl)silyl]amino]-dimethylsilyl]ethane

Standard CAS: 17882-94-9 Multi CAS: No

Basic Information

CAS
17882-94-9
Multi CAS
No
Molecular Formula
C8H23NSi2
Molecular Weight
189.450000
Exact Mass
189.136903
SMILES
CC[Si](C)(C)N[Si](C)(C)CC
InChI
InChI=1S/C8H23NSi2/c1-7-10(3,4)9-11(5,6)8-2/h9H,7-8H2,1-6H3
InChIKey
MHRNQQUEUYMEEH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
59.06
TPSA
12.03

LogP / Solubility

WLOGP
3.03
MLOGP
2.66
XLogP3
3.03
Consensus LogP
2.91
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Flammable Corrosive
Signal
Danger
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501

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