CAS RN: 1213552-98-7
3-((1R)-1-AMINOETHYL)-5-(TRIFLUOROMETHYL)PHENYLAMINE
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.20250206 | 50mg / 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-023402
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: 0.1g, 0.25g, 1g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 8
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 5 In Stock | Shenzhen | Inquiry |
| 0.1g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 0.25g | -- | 5 In Stock | Beijing | Inquiry |
| 0.25g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 1g | -- | 5 In Stock | Hong Kong | Inquiry |
| 1g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 5g | -- | 1 In Stock | Hong Kong | Inquiry |
| 5g | ≥95% | 1 In Stock | Hong Kong | Inquiry |
1213552-98-7 / 3-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline
3-(1-aminoethyl)-5-(trifluoromethyl)aniline | RefChem:489414 | 899-038-6
Basic Information
CAS
1213552-98-7
Multi CAS
Yes
Molecular Formula
C9H11F3N2
Molecular Weight
204.190000
Exact Mass
204.087433
SMILES
C[C@H](C1=CC(=CC(=C1)N)C(F)(F)F)N
InChI
InChI=1S/C9H11F3N2/c1-5(13)6-2-7(9(10,11)12)4-8(14)3-6/h2-5H,13-14H2,1H3/t5-/m1/s1
InChIKey
SPYLLSKIPZGXNM-RXMQYKEDSA-N
Synonyms
3-(1-aminoethyl)-5-(trifluoromethyl)aniline
RefChem:489414
899-038-6
MFCD24524295
SCHEMBL12587301
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.46
TPSA
52.04
LogP / Solubility
WLOGP
2.31
MLOGP
2.03
XLogP3
1.9
Consensus LogP
2.08
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
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)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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