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CAS 68401-66-1 O-(2,2,2-Trifluoroethyl)hydroxylamine hydrochloride molecular structure lightbox
CAS RN: 68401-66-1

O-(2,2,2-Trifluoroethyl)hydroxylamine hydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260208 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-178152
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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 68401-66-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

68401-66-1 / O-(2,2,2-trifluoroethyl)hydroxylamine;hydrochloride

Standard CAS: 68401-66-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
68401-66-1
Multi CAS
No
Molecular Formula
C2H5CLF3NO
Molecular Weight
151.510000
Exact Mass
151.001176
InChI
InChI=1S/C2H4F3NO.ClH/c3-2(4,5)1-7-6;/h1,6H2;1H
InChIKey
MIQJCHKNVAHUGJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
23.44
TPSA
35.25

LogP / Solubility

WLOGP
0.86
MLOGP
0.75
XLogP3
0.86
Consensus LogP
0.82
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
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)
-3.03

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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