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CAS 58539-64-3 3-(AMINOMETHYL)-A-PICOLINE molecular structure lightbox
CAS RN: 58539-64-3

3-(AMINOMETHYL)-A-PICOLINE

  • Product code: SSC-166797
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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: 0.25g, 1g, 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 58539-64-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

58539-64-3 / (2-methyl-3-pyridinyl)methanamine

Standard CAS: 58539-64-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
58539-64-3
Multi CAS
No
Molecular Formula
C7H10N2
Molecular Weight
122.170000
Exact Mass
122.084398
InChI
InChI=1S/C7H10N2/c1-6-7(5-8)3-2-4-9-6/h2-4H,5,8H2,1H3
InChIKey
YMROUWDKBBTAPS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.87
TPSA
38.91

LogP / Solubility

WLOGP
0.85
MLOGP
0.74
XLogP3
0.1
Consensus LogP
0.56
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
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
1.5

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