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CAS 500716-28-9 2-Pyridinemethanamine,4-(dimethylamino)-(9CI) molecular structure lightbox
CAS RN: 500716-28-9

2-Pyridinemethanamine,4-(dimethylamino)-(9CI)

  • Product code: SSC-156406
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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 500716-28-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

500716-28-9 / 2-(aminomethyl)-N,N-dimethylpyridin-4-amine

Standard CAS: 500716-28-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
500716-28-9
Multi CAS
No
Molecular Formula
C8H13N3
Molecular Weight
151.210000
Exact Mass
151.110947
InChI
InChI=1S/C8H13N3/c1-11(2)8-3-4-10-7(5-8)6-9/h3-5H,6,9H2,1-2H3
InChIKey
CBBNMRHBOTWANO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.46
TPSA
42.15

LogP / Solubility

WLOGP
0.61
MLOGP
0.53
XLogP3
-0.1
Consensus LogP
0.35
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.39
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)
-3.21

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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