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CAS 18293-53-3 (TRIMETHYLSILYL)ACETONITRILE molecular structure lightbox
CAS RN: 18293-53-3

(TRIMETHYLSILYL)ACETONITRILE

  • Product code: SSC-084658
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 0.25g, 100g
  • Available purity: >98%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 18293-53-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 5 In Stock Hong Kong Inquiry
5g >98% 5 In Stock Beijing Inquiry
10g >98% 5 In Stock Hong Kong Inquiry
25g >98% 4 In Stock Shanghai Inquiry
0.25g >98% 3 In Stock Hong Kong Inquiry
100g >98% 0 Out of Stock Hong Kong Inquiry

18293-53-3 / 2-trimethylsilylacetonitrile

Standard CAS: 18293-53-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18293-53-3
Multi CAS
No
Molecular Formula
C5H11NSi
Molecular Weight
113.230000
Exact Mass
113.066076
SMILES
C[Si](C)(C)CC#N
InChI
InChI=1S/C5H11NSi/c1-7(2,3)5-4-6/h5H2,1-3H3
InChIKey
WJKMUGYQMMXILX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
33.77
TPSA
23.79

LogP / Solubility

WLOGP
1.85
MLOGP
1.62
XLogP3
1.85
Consensus LogP
1.77
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
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)
-2.1

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 Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H301 (95.6%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (95.6%): Toxic in contact with skin [Danger Acute toxicity, dermal] H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

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