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CAS 54127-64-9 2-(6-chloropyridin-3-yl)ethanamine molecular structure lightbox
CAS RN: 54127-64-9

2-(6-chloropyridin-3-yl)ethanamine

  • Product code: SSC-161693
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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: 0.25g
  • 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 54127-64-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

54127-64-9 / 2-(6-chloro-3-pyridinyl)ethanamine

Standard CAS: 54127-64-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54127-64-9
Multi CAS
No
Molecular Formula
C7H9CLN2
Molecular Weight
156.610000
Exact Mass
156.045426
InChI
InChI=1S/C7H9ClN2/c8-7-2-1-6(3-4-9)5-10-7/h1-2,5H,3-4,9H2
InChIKey
DSJPCYWXUGROQW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.01
TPSA
38.91

LogP / Solubility

WLOGP
1.24
MLOGP
1.08
XLogP3
1.1
Consensus LogP
1.14
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
Class (SILICOS-IT)
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)
-2.8

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

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