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CAS 5766-67-6 (ETHYLENEDINITRILO)TETRAACETONITRILE molecular structure lightbox
CAS RN: 5766-67-6

(ETHYLENEDINITRILO)TETRAACETONITRILE

  • Product code: SSC-165830
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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: 5g
  • Available purity: ≥95%
  • 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 5766-67-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

5766-67-6 / 2-[2-[bis(cyanomethyl)amino]ethyl-(cyanomethyl)amino]acetonitrile

Standard CAS: 5766-67-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
5766-67-6
Multi CAS
Yes
Molecular Formula
C10H12N6
Molecular Weight
216.240000
Exact Mass
216.112344
InChI
InChI=1S/C10H12N6/c11-1-5-15(6-2-12)9-10-16(7-3-13)8-4-14/h5-10H2
InChIKey
FDWRKVKXYZRYOD-UHFFFAOYSA-N

Physical Properties

Physical Description
Other Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.6
Rotatable bonds
7
H-bond acceptors
6
Molar refractivity
55.33
TPSA
101.64

LogP / Solubility

WLOGP
-0.32
MLOGP
-0.28
XLogP3
-0.6
Consensus LogP
-0.4
Log S (ESOL)
-0.52
Class (ESOL)
Very soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.26

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

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