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CAS 801173-51-3 (1-methyl-2-pyridin-4-ylethyl)amine(SALTDATA: FREE) molecular structure lightbox
CAS RN: 801173-51-3

(1-methyl-2-pyridin-4-ylethyl)amine(SALTDATA: FREE)

  • Product code: SSC-189100
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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 801173-51-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

801173-51-3 / 1-pyridin-4-ylpropan-2-amine

Standard CAS: 801173-51-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
801173-51-3
Multi CAS
No
Molecular Formula
C8H12N2
Molecular Weight
136.190000
Exact Mass
136.100048
InChI
InChI=1S/C8H12N2/c1-7(9)6-8-2-4-10-5-3-8/h2-5,7H,6,9H2,1H3
InChIKey
SCMJZBZLSWJQJO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.59
TPSA
38.91

LogP / Solubility

WLOGP
0.97
MLOGP
0.85
XLogP3
0.6
Consensus LogP
0.81
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
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)
-2.86

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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