CAS RN: 825647-69-6
3-METHYL-1-(PYRIDIN-2-YL)BUTAN-1-AMINE
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-190669
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 0.1g, 0.25g
- Available purity: >97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
825647-69-6 / 3-methyl-1-pyridin-2-ylbutan-1-amine
Basic Information
CAS
825647-69-6
Multi CAS
No
Molecular Formula
C10H16N2
Molecular Weight
164.250000
Exact Mass
164.131349
InChI
InChI=1S/C10H16N2/c1-8(2)7-9(11)10-5-3-4-6-12-10/h3-6,8-9H,7,11H2,1-2H3
InChIKey
CQQSJHCEEUYAOK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.62
TPSA
38.91
LogP / Solubility
WLOGP
2.13
MLOGP
1.87
XLogP3
1.5
Consensus LogP
1.83
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
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)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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