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CAS 1631-33-0 TRIETHYLSILANE-D 97 ATOM % D molecular structure lightbox
CAS RN: 1631-33-0

TRIETHYLSILANE-D 97 ATOM % D

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  • Product code: starshine_CAS1631-33-0
  • Purity/Analytical Methods: >99.0%
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1631-33-0 / deuterio(triethyl)silane

Standard CAS: 1631-33-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1631-33-0
Multi CAS
No
Molecular Formula
C6H16Si
Molecular Weight
117.280000
Exact Mass
117.108404
SMILES
[2H][Si](CC)(CC)CC
InChI
InChI=1S/C6H16Si/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H3/i7D
InChIKey
AQRLNPVMDITEJU-WHRKIXHSSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
3
Molar refractivity
38.59
TPSA
0.0000

LogP / Solubility

WLOGP
2.27
MLOGP
1.99
XLogP3
2.27
Consensus LogP
2.18
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
Class (SILICOS-IT)
Moderately 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)
-1.82

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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501

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