![CAS 886364-80-3 N-METHYL-1-[6-(TRIFLUOROMETHYL)PYRIDIN-3-YL]METHANAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/886364-80-3.gif)
CAS RN: 886364-80-3
N-METHYL-1-[6-(TRIFLUOROMETHYL)PYRIDIN-3-YL]METHANAMINE
- Product code: SSC-199833
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 | Beijing | Inquiry |
886364-80-3 / N-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]methanamine
Basic Information
CAS
886364-80-3
Multi CAS
Yes
Molecular Formula
C8F3H9N2
Molecular Weight
190.170000
Exact Mass
190.071783
InChI
InChI=1S/C8H9F3N2/c1-12-4-6-2-3-7(13-5-6)8(9,10)11/h2-3,5,12H,4H2,1H3
InChIKey
DNSJZPZEMZAKIF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42
TPSA
24.92
LogP / Solubility
WLOGP
1.82
MLOGP
1.6
XLogP3
1.1
Consensus LogP
1.51
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-2.59
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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(1-[6-(TRIFLUOROMETHYL)PYRIDIN-3-YL]ETHYL)AMINE
- CAS RN: 886364-82-5
- Product Code: SSC-199834
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![CAS 886364-82-5 (1-[6-(TRIFLUOROMETHYL)PYRIDIN-3-YL]ETHYL)AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/886364-82-5.gif)
