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CAS 75703-26-3 2,2,2-TRIFLUORO-1-P-TOLYL-ETHYLAMINE molecular structure lightbox
CAS RN: 75703-26-3

2,2,2-TRIFLUORO-1-P-TOLYL-ETHYLAMINE

  • Product code: SSC-185154
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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: 0.25g
  • 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 75703-26-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

75703-26-3 / 2,2,2-trifluoro-1-(4-methylphenyl)ethanamine

Standard CAS: 75703-26-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
75703-26-3
Multi CAS
No
Molecular Formula
C9F3H10N
Molecular Weight
189.180000
Exact Mass
189.076534
InChI
InChI=1S/C9H10F3N/c1-6-2-4-7(5-3-6)8(13)9(10,11)12/h2-5,8H,13H2,1H3
InChIKey
UXPQTBRCSUZWOK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.16
TPSA
26.02

LogP / Solubility

WLOGP
2.56
MLOGP
2.25
XLogP3
2.3
Consensus LogP
2.37
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
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)
-2.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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