CAS RN: 2061979-76-6
1-(3-Methylpyridin-2-yl)propan-1-amine dihydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251229 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2061979-76-6
- Purity/Analytical Methods: >99.0%
2061979-76-6 / 1-(3-methyl-2-pyridinyl)propan-1-amine;dihydrochloride
Basic Information
CAS
2061979-76-6
Multi CAS
No
Molecular Formula
C9H16Cl2N2
Molecular Weight
223.140000
Exact Mass
222.069054
SMILES
CCC(C1=C(C=CC=N1)C)N.Cl.Cl
InChI
InChI=1S/C9H14N2.2ClH/c1-3-8(10)9-7(2)5-4-6-11-9;;/h4-6,8H,3,10H2,1-2H3;2*1H
InChIKey
QLURVUPKNNMCDP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.69
TPSA
38.91
LogP / Solubility
WLOGP
2.64
MLOGP
2.33
XLogP3
2.64
Consensus LogP
2.54
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
Class (SILICOS-IT)
Poorly 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)
-2.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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