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CAS 3803-25-6 1-(3-TrifluoroMethylphenyl)ethanaMine HCl molecular structure lightbox
CAS RN: 3803-25-6

1-(3-TrifluoroMethylphenyl)ethanaMine HCl

  • Product code: SSC-145476
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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 3803-25-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

3803-25-6 / 1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride

Standard CAS: 3803-25-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3803-25-6
Multi CAS
No
Molecular Formula
C9H11CLF3N
Molecular Weight
225.640000
Exact Mass
225.053212
InChI
InChI=1S/C9H10F3N.ClH/c1-6(13)7-3-2-4-8(5-7)9(10,11)12;/h2-6H,13H2,1H3;1H
InChIKey
XJVAGOCFOAYRDT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.29
TPSA
26.02

LogP / Solubility

WLOGP
3.15
MLOGP
2.77
XLogP3
3.15
Consensus LogP
3.02
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
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)
-1.86

Drug-likeness / Medicinal Chemistry

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

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