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CAS 67580-61-4 4-(2-DIETHYLAMINOETHYL)PYRIDINE molecular structure lightbox
CAS RN: 67580-61-4

4-(2-DIETHYLAMINOETHYL)PYRIDINE

  • Product code: SSC-177272
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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: 1g
  • 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 67580-61-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

67580-61-4 / N,N-diethyl-2-pyridin-4-ylethanamine

Standard CAS: 67580-61-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67580-61-4
Multi CAS
Yes
Molecular Formula
C11H18N2
Molecular Weight
178.270000
Exact Mass
178.146999
InChI
InChI=1S/C11H18N2/c1-3-13(4-2)10-7-11-5-8-12-9-6-11/h5-6,8-9H,3-4,7,10H2,1-2H3
InChIKey
KHPJCEUYRXYZBA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
55.73
TPSA
16.13

LogP / Solubility

WLOGP
1.97
MLOGP
1.73
XLogP3
1.6
Consensus LogP
1.77
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
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)
-2.41

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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