CAS RN: 113211-41-9
O-(but-3-enyl)hydroxylaMine hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260325 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-013399
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: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
113211-41-9 / O-but-3-enylhydroxylamine;hydrochloride
O-(But-3-en-1-yl)hydroxylamine hydrochloride | O-(but-3-enyl)hydroxylamine hydrochloride | MFCD17012840
Basic Information
CAS
113211-41-9
Multi CAS
No
Molecular Formula
C4H10ClNO
Molecular Weight
123.580000
Exact Mass
123.045092
SMILES
C=CCCON.Cl
InChI
InChI=1S/C4H9NO.ClH/c1-2-3-4-6-5;/h2H,1,3-5H2;1H
InChIKey
DDIVEUNZIQKIJL-UHFFFAOYSA-N
Synonyms
O-(But-3-en-1-yl)hydroxylamine hydrochloride
O-(but-3-enyl)hydroxylamine hydrochloride
MFCD17012840
O-but-3-enylhydroxylamine;hydrochloride
O-(3-Butenyl)hydroxylamine Hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
32.2
TPSA
35.25
LogP / Solubility
WLOGP
0.87
MLOGP
0.76
XLogP3
0.87
Consensus LogP
0.83
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
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)
-2.85
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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