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CAS 97004-05-2 C-(3-METHYL-PYRIDIN-4-YL)-METHYLAMINE molecular structure lightbox
CAS RN: 97004-05-2

C-(3-METHYL-PYRIDIN-4-YL)-METHYLAMINE

  • Product code: SSC-212188
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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: ＞97%
  • 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 97004-05-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

97004-05-2 / N,3-dimethylpyridin-4-amine

Standard CAS: 97004-05-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
97004-05-2
Multi CAS
Yes
Molecular Formula
C7H10N2
Molecular Weight
122.170000
Exact Mass
122.084398
InChI
InChI=1S/C7H10N2/c1-6-5-9-3-2-7(6)4-8/h2-3,5H,4,8H2,1H3
InChIKey
DZMLSCJHELOPFT-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
38.52
TPSA
24.92

LogP / Solubility

WLOGP
1.43
MLOGP
1.25
XLogP3
1.2
Consensus LogP
1.29
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
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)
-2.45

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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