![CAS 1213630-93-3 (R)-1-[3-(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE-HCl molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1213630-93-3.gif)
CAS RN: 1213630-93-3
(R)-1-[3-(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE-HCl
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.20250119 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-023451
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 |
1213630-93-3 / (1R)-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
1-(3-(Trifluoromethyl)phenyl)ethanamine hydrochloride | 1-(3-TRIFLUOROMETHYLPHENYL)ETHANAMINE HCL | MFCD22421524
Basic Information
CAS
1213630-93-3
Multi CAS
Yes
Molecular Formula
C9H11ClF3N
Molecular Weight
225.640000
Exact Mass
225.053212
SMILES
C[C@H](C1=CC(=CC=C1)C(F)(F)F)N.Cl
InChI
InChI=1S/C9H10F3N.ClH/c1-6(13)7-3-2-4-8(5-7)9(10,11)12;/h2-6H,13H2,1H3;1H/t6-;/m1./s1
InChIKey
XJVAGOCFOAYRDT-FYZOBXCZSA-N
Synonyms
1-(3-(Trifluoromethyl)phenyl)ethanamine hydrochloride
1-(3-TRIFLUOROMETHYLPHENYL)ETHANAMINE HCL
MFCD22421524
1-(3-Trifluoromethylphenyl)ethanamine hydrochloride
1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.29
TPSA
26.02
LogP / Solubility
WLOGP
3.15
MLOGP
2.77
XLogP3
3.15
Consensus LogP
3.02
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
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)
-1.86
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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