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CAS 90565-26-7 1-PYRIDIN-2-YLBUTYLAMINE molecular structure lightbox
CAS RN: 90565-26-7

1-PYRIDIN-2-YLBUTYLAMINE

  • Product code: SSC-203116
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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 90565-26-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

90565-26-7 / 1-pyridin-2-ylbutan-1-amine

Standard CAS: 90565-26-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90565-26-7
Multi CAS
No
Molecular Formula
C9H14N2
Molecular Weight
150.220000
Exact Mass
150.115698
InChI
InChI=1S/C9H14N2/c1-2-5-8(10)9-6-3-4-7-11-9/h3-4,6-8H,2,5,10H2,1H3
InChIKey
BFKHSLAQEYFTPC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.07
TPSA
38.91

LogP / Solubility

WLOGP
1.88
MLOGP
1.65
XLogP3
1
Consensus LogP
1.51
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.3

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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