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CAS 1196702-79-0 4-(Aminomethyl)-2-(trifluoromethyl)aniline Hydrochloride molecular structure lightbox
CAS RN: 1196702-79-0

4-(Aminomethyl)-2-(trifluoromethyl)aniline Hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250925 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-020345
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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: 1g, 5g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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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 1196702-79-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 3 In Stock Beijing Inquiry
5g ≥95% 2 In Stock Shanghai Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1196702-79-0 / 4-(aminomethyl)-2-(trifluoromethyl)aniline;hydrochloride

4-(Aminomethyl)-2-(trifluoromethyl)aniline Hydrochloride | MFCD28122820 | 4-(aminomethyl)-2-(trifluoromethyl)aniline;hydrochloride

Standard CAS: 1196702-79-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1196702-79-0
Multi CAS
Yes
Molecular Formula
C8H10ClF3N2
Molecular Weight
226.620000
Exact Mass
226.048461
SMILES
C1=CC(=C(C=C1CN)C(F)(F)F)N.Cl
InChI
InChI=1S/C8H9F3N2.ClH/c9-8(10,11)6-3-5(4-12)1-2-7(6)13;/h1-3H,4,12-13H2;1H
InChIKey
WAAIJGJWHNVKKS-UHFFFAOYSA-N
Synonyms
4-(Aminomethyl)-2-(trifluoromethyl)aniline Hydrochloride MFCD28122820 4-(aminomethyl)-2-(trifluoromethyl)aniline;hydrochloride Benzenemethanamine, 4-amino-3-(trifluoromethyl)-, hydrochloride (1:1) 4-(Aminomethyl)-2-(trifluoromethyl)aniline HCl

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51
TPSA
52.04

LogP / Solubility

WLOGP
2.17
MLOGP
1.91
XLogP3
2.17
Consensus LogP
2.08
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
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)
-2.56

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
1.5

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