CAS RN: 1187932-68-8
(3-(trifluoroMethyl)pyridin-2-yl)MethanaMine hydrochloride
- Product code: SSC-018863
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 |
1187932-68-8 / [3-(trifluoromethyl)-2-pyridinyl]methanamine;hydrochloride
(3-(trifluoromethyl)pyridin-2-yl)methanamine hydrochloride | MFCD04117764 | C-(3-Trifluoromethyl-pyridin-2-yl)-methylamine hydrochloride
Basic Information
CAS
1187932-68-8
Multi CAS
No
Molecular Formula
C7H8ClF3N2
Molecular Weight
212.600000
Exact Mass
212.032810
SMILES
C1=CC(=C(N=C1)CN)C(F)(F)F.Cl
InChI
InChI=1S/C7H7F3N2.ClH/c8-7(9,10)5-2-1-3-12-6(5)4-11;/h1-3H,4,11H2;1H
InChIKey
YWIVAUJFAGZFTR-UHFFFAOYSA-N
Synonyms
(3-(trifluoromethyl)pyridin-2-yl)methanamine hydrochloride
MFCD04117764
C-(3-Trifluoromethyl-pyridin-2-yl)-methylamine hydrochloride
[3-(trifluoromethyl)pyridin-2-yl]methanamine;hydrochloride
[3-(Trifluoromethyl)-2-pyridyl]methanamine Hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.38
TPSA
38.91
LogP / Solubility
WLOGP
1.98
MLOGP
1.74
XLogP3
1.98
Consensus LogP
1.9
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
3(R)-IODOMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
- CAS RN: 1187932-69-9
- Product Code: SSC-018864
-
2-Methyl-5,6-dihydro-4H-pyrrolo[3,4-d]thiazole hydrochloride
- CAS RN: 1187932-70-2
- Product Code: SSC-018865
-
3(S)-CHLOROMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
- CAS RN: 1187932-75-7
- Product Code: SSC-018866
-
1,7-Diaza-spiro[4.5]decane-7-carboxylic acid tert-butyl ester oxalate
- CAS RN: 1187932-79-1
- Product Code: starshine_CAS1187932-79-1
- Purity/Analytical method: >99.0%
-
C-(5-Chloro-thiazol-2-yl)-methylamine hydrochloride
- CAS RN: 1187932-87-1
- Product Code: starshine_CAS1187932-87-1
- Purity/Analytical method: >99.0%
-
[2-(3-Bromo-isoxazol-5-yl)-ethyl]-carbamic acid tert-butyl ester
- CAS RN: 1187932-88-2
- Product Code: SSC-018868
![CAS 1187932-70-2 2-Methyl-5,6-dihydro-4H-pyrrolo[3,4-d]thiazole hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB82726108.gif)
![CAS 1187932-79-1 1,7-Diaza-spiro[4.5]decane-7-carboxylic acid tert-butyl ester oxalate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1187932-79-1.gif)
![CAS 1187932-88-2 [2-(3-Bromo-isoxazol-5-yl)-ethyl]-carbamic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1187932-88-2.gif)