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CAS 1067-47-6 3-CYANOPROPYLTRIETHOXYSILANE molecular structure lightbox
CAS RN: 1067-47-6

3-CYANOPROPYLTRIETHOXYSILANE

  • Product code: SSC-008237
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1067-47-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Hong Kong Inquiry

1067-47-6 / 4-triethoxysilylbutanenitrile

3-Cyanopropyltriethoxysilane | 4-(Triethoxysilyl)butanenitrile | Butanenitrile, 4-(triethoxysilyl)-

Standard CAS: 1067-47-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1067-47-6
Multi CAS
No
Molecular Formula
C10H21NO3Si
Molecular Weight
231.360000
Exact Mass
231.129070
SMILES
CCO[Si](CCCC#N)(OCC)OCC
InChI
InChI=1S/C10H21NO3Si/c1-4-12-15(13-5-2,14-6-3)10-8-7-9-11/h4-8,10H2,1-3H3
InChIKey
VGIURMCNTDVGJM-UHFFFAOYSA-N
Synonyms
3-Cyanopropyltriethoxysilane 4-(Triethoxysilyl)butanenitrile Butanenitrile, 4-(triethoxysilyl)- 4-(Triethoxysilyl)butyronitrile Butyronitrile, 4-(triethoxysilyl)-

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
9
H-bond acceptors
4
Molar refractivity
60.29
TPSA
51.48

LogP / Solubility

WLOGP
2.34
MLOGP
2.06
XLogP3
2.34
Consensus LogP
2.25
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly 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)
-2.47

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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