CAS RN: 1260836-58-5
O-(2-tert-Butoxy-ethyl)-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.20250123 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1260836-58-5
- Purity/Analytical Methods: >99.0%
1260836-58-5 / O-[2-[(2-methylpropan-2-yl)oxy]ethyl]hydroxylamine;hydrochloride
Basic Information
CAS
1260836-58-5
Multi CAS
No
Molecular Formula
C6H16ClNO2
Molecular Weight
169.650000
Exact Mass
169.086956
SMILES
CC(C)(C)OCCON.Cl
InChI
InChI=1S/C6H15NO2.ClH/c1-6(2,3)8-4-5-9-7;/h4-5,7H2,1-3H3;1H
InChIKey
YHGFITRQPJPESH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.09
TPSA
44.48
LogP / Solubility
WLOGP
1.11
MLOGP
0.98
XLogP3
1.11
Consensus LogP
1.07
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
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)
-2.96
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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