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CAS 1241682-25-6 (1R)-1-(2,4,6-TRIFLUOROPHENYL)ETHYLAMINE molecular structure lightbox
CAS RN: 1241682-25-6

(1R)-1-(2,4,6-TRIFLUOROPHENYL)ETHYLAMINE

  • Product code: SSC-027999
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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 1241682-25-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1241682-25-6 / (1R)-1-(2,4,6-trifluorophenyl)ethanamine

Standard CAS: 1241682-25-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1241682-25-6
Multi CAS
No
Molecular Formula
C8H8F3N
Molecular Weight
175.150000
Exact Mass
175.060884
SMILES
C[C@H](C1=C(C=C(C=C1F)F)F)N
InChI
InChI=1S/C8H8F3N/c1-4(12)8-6(10)2-5(9)3-7(8)11/h2-4H,12H2,1H3/t4-/m1/s1
InChIKey
SHTDOEJRDZKMMX-SCSAIBSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.92
TPSA
26.02

LogP / Solubility

WLOGP
2.12
MLOGP
1.87
XLogP3
1.5
Consensus LogP
1.83
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-2.28

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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