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CAS 38945-21-0 O-Allylhydroxylamine Hydrochloride molecular structure lightbox
CAS RN: 38945-21-0

O-Allylhydroxylamine Hydrochloride

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251226 1g / 5g / 25g Confirm by inquiry Shanghai, Hebei Inquiry
  • Product code: SSC-146550
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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: 5g
  • Available purity: ＞97%
  • 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 38945-21-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

38945-21-0 / O-prop-2-enylhydroxylamine;hydrochloride

Standard CAS: 38945-21-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
38945-21-0
Multi CAS
Yes
Molecular Formula
C3H8CLNO
Molecular Weight
109.550000
Exact Mass
109.029442
InChI
InChI=1S/C3H7NO.ClH/c1-2-3-5-4;/h2H,1,3-4H2;1H
InChIKey
XIQUJVRFXPBMHS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
27.58
TPSA
35.25

LogP / Solubility

WLOGP
0.48
MLOGP
0.42
XLogP3
0.48
Consensus LogP
0.46
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-0.81
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.01
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)
-3.04

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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