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CAS 70065-82-6 Isopropyl-pyridin-4-ylMethyl-aMine molecular structure lightbox
CAS RN: 70065-82-6

Isopropyl-pyridin-4-ylMethyl-aMine

  • Product code: SSC-179854
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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 70065-82-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

70065-82-6 / N-(pyridin-4-ylmethyl)propan-2-amine

Standard CAS: 70065-82-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
70065-82-6
Multi CAS
No
Molecular Formula
C9H14N2
Molecular Weight
150.220000
Exact Mass
150.115698
InChI
InChI=1S/C9H14N2/c1-8(2)11-7-9-3-5-10-6-4-9/h3-6,8,11H,7H2,1-2H3
InChIKey
WRVHNIRQQJQUBS-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
46.21
TPSA
24.92

LogP / Solubility

WLOGP
1.58
MLOGP
1.38
XLogP3
1
Consensus LogP
1.32
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.31
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)
-2.51

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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