[email protected]
CAS 122509-22-2 4-(AMinoMethyl)-3-(trifluoroMethyl)aniline molecular structure lightbox
CAS RN: 122509-22-2

4-(AMinoMethyl)-3-(trifluoroMethyl)aniline

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260503 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-025454
GET A QUOTE
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: 10g, 0.1g, 0.25g, 1g, 5g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 122509-22-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g >95% 4 In Stock Shanghai Inquiry
0.1g >95% 3 In Stock Hong Kong Inquiry
0.25g >95% 3 In Stock Shenzhen Inquiry
1g >95% 3 In Stock Shanghai Inquiry
5g >95% 3 In Stock Shenzhen Inquiry
25g >95% 2 In Stock Hong Kong Inquiry

122509-22-2 / 4-(aminomethyl)-3-(trifluoromethyl)aniline

Standard CAS: 122509-22-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
122509-22-2
Multi CAS
No
Molecular Formula
C8H9F3N2
Molecular Weight
190.170000
Exact Mass
190.071783
SMILES
C1=CC(=C(C=C1N)C(F)(F)F)CN
InChI
InChI=1S/C8H9F3N2/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-3H,4,12-13H2
InChIKey
KVGJSASELAQLPO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
43.75
TPSA
52.04

LogP / Solubility

WLOGP
1.75
MLOGP
1.54
XLogP3
1
Consensus LogP
1.43
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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)
-2.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us