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CAS 2873-90-7 4-(Diethylamino)benzonitrile molecular structure lightbox
CAS RN: 2873-90-7

4-(Diethylamino)benzonitrile

  • Product code: SSC-130389
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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 2873-90-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

2873-90-7 / 4-(diethylamino)benzonitrile

Standard CAS: 2873-90-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2873-90-7
Multi CAS
Yes
Molecular Formula
C11H14N2
Molecular Weight
174.240000
Exact Mass
174.115698
InChI
InChI=1S/C11H14N2/c1-3-13(4-2)11-7-5-10(9-12)6-8-11/h5-8H,3-4H2,1-2H3
InChIKey
KMLGFOAKCYHXCQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
54.72
TPSA
27.03

LogP / Solubility

WLOGP
2.4
MLOGP
2.11
XLogP3
2.9
Consensus LogP
2.47
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
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)
-2.08

Drug-likeness / Medicinal Chemistry

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

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