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CAS 1149588-22-6 1-(3-CHLORO-4-PYRIDYL)ETHYLAMINE molecular structure lightbox
CAS RN: 1149588-22-6

1-(3-CHLORO-4-PYRIDYL)ETHYLAMINE

  • Product code: SSC-014650
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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 1149588-22-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1149588-22-6 / 1-(3-chloro-4-pyridinyl)ethanamine

1-(3-chloropyridin-4-yl)ethan-1-amine | 1-(3-Chloropyridin-4-yl)ethanamine | 1-(3-CHLORO-4-PYRIDYL)ETHYLAMINE

Standard CAS: 1149588-22-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1149588-22-6
Multi CAS
No
Molecular Formula
C7H9ClN2
Molecular Weight
156.610000
Exact Mass
156.045426
SMILES
CC(C1=C(C=NC=C1)Cl)N
InChI
InChI=1S/C7H9ClN2/c1-5(9)6-2-3-10-4-7(6)8/h2-5H,9H2,1H3
InChIKey
RKPIAZZODCNIEH-UHFFFAOYSA-N
Synonyms
1-(3-chloropyridin-4-yl)ethan-1-amine 1-(3-Chloropyridin-4-yl)ethanamine 1-(3-CHLORO-4-PYRIDYL)ETHYLAMINE MFCD18652189 SCHEMBL13028991

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.85
TPSA
38.91

LogP / Solubility

WLOGP
1.75
MLOGP
1.54
XLogP3
0.7
Consensus LogP
1.33
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
Class (SILICOS-IT)
Moderately 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)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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