CAS RN: 1965309-73-2
2-(3-methoxypyridin-4-yl)ethanamine hydrochloride
- Product code: SSC-092796
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1965309-73-2 / 2-(3-methoxy-4-pyridinyl)ethanamine;dihydrochloride
Basic Information
CAS
1965309-73-2
Multi CAS
No
Molecular Formula
C8H14Cl2N2O
Molecular Weight
225.110000
Exact Mass
224.048319
SMILES
COC1=C(C=CN=C1)CCN.Cl.Cl
InChI
InChI=1S/C8H12N2O.2ClH/c1-11-8-6-10-5-3-7(8)2-4-9;;/h3,5-6H,2,4,9H2,1H3;2*1H
InChIKey
AMXQLHDKIITSMP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.04
TPSA
48.14
LogP / Solubility
WLOGP
1.43
MLOGP
1.27
XLogP3
1.43
Consensus LogP
1.38
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-3.07
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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