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CAS 765297-88-9 2-(aminomethyl)-4-(trifluoromethyl)aniline molecular structure lightbox
CAS RN: 765297-88-9

2-(aminomethyl)-4-(trifluoromethyl)aniline

  • Product code: SSC-185940
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 765297-88-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

765297-88-9 / 2-(aminomethyl)-4-(trifluoromethyl)aniline

Standard CAS: 765297-88-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
765297-88-9
Multi CAS
No
Molecular Formula
C8F3H9N2
Molecular Weight
190.170000
Exact Mass
190.071783
InChI
InChI=1S/C8H9F3N2/c9-8(10,11)6-1-2-7(13)5(3-6)4-12/h1-3H,4,12-13H2
InChIKey
QUVMBUDSNDEGEU-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
1.5
Consensus LogP
1.6
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

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