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CAS 169045-12-9 C-(6-Methoxy-pyridin-3-yl)-MethylaMine hydrochloride molecular structure lightbox
CAS RN: 169045-12-9

C-(6-Methoxy-pyridin-3-yl)-MethylaMine hydrochloride

  • Product code: SSC-073699
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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 169045-12-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

169045-12-9 / (6-methoxy-3-pyridinyl)methanamine;dihydrochloride

Standard CAS: 169045-12-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
169045-12-9
Multi CAS
No
Molecular Formula
C7H12Cl2N2O
Molecular Weight
211.090000
Exact Mass
210.032668
SMILES
COC1=NC=C(C=C1)CN.Cl.Cl
InChI
InChI=1S/C7H10N2O.2ClH/c1-10-7-3-2-6(4-8)5-9-7;;/h2-3,5H,4,8H2,1H3;2*1H
InChIKey
ABXFQJYKCDUNTO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.18
TPSA
48.14

LogP / Solubility

WLOGP
1.39
MLOGP
1.23
XLogP3
1.39
Consensus LogP
1.34
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-3.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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