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CAS 421-49-8 1-(TRIFLUOROMETHYL)ETHYLAMINE molecular structure lightbox
CAS RN: 421-49-8

1-(TRIFLUOROMETHYL)ETHYLAMINE

  • Product code: SSC-150424
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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: 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 421-49-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

421-49-8 / 1,1,1-trifluoropropan-2-amine

Standard CAS: 421-49-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
421-49-8
Multi CAS
Yes
Molecular Formula
C3F3H6N
Molecular Weight
113.080000
Exact Mass
113.045234
InChI
InChI=1S/C3H6F3N/c1-2(7)3(4,5)6/h2H,7H2,1H3
InChIKey
SNMLKBMPULDPTA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
19.7
TPSA
26.02

LogP / Solubility

WLOGP
0.9
MLOGP
0.78
XLogP3
0.8
Consensus LogP
0.83
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-1.13
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
Class (SILICOS-IT)
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)
-2.77

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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