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CAS 1023742-13-3 O-(2-tert-butoxyethyl)hydroxylaMine molecular structure lightbox
CAS RN: 1023742-13-3

O-(2-tert-butoxyethyl)hydroxylaMine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250520 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1023742-13-3
  • Purity/Analytical Methods: >99.0%
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1023742-13-3 / O-[2-[(2-methylpropan-2-yl)oxy]ethyl]hydroxylamine

O-(2-TERT-BUTOXYETHYL)HYDROXYLAMINE | DTXSID70676796 | RefChem:366277

Standard CAS: 1023742-13-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1023742-13-3
Multi CAS
No
Molecular Formula
C6H15NO2
Molecular Weight
133.190000
Exact Mass
133.110279
SMILES
CC(C)(C)OCCON
InChI
InChI=1S/C6H15NO2/c1-6(2,3)8-4-5-9-7/h4-5,7H2,1-3H3
InChIKey
MDJSCHZIEVAKHQ-UHFFFAOYSA-N
Synonyms
O-(2-TERT-BUTOXYETHYL)HYDROXYLAMINE DTXSID70676796 RefChem:366277 DTXCID10627545 811-338-0

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.84
TPSA
44.48

LogP / Solubility

WLOGP
0.69
MLOGP
0.6
XLogP3
0.2
Consensus LogP
0.5
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
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

Safety & Transport

Pictogram(s)
Flammable Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H226 (33.3%): Flammable liquid and vapor [Warning Flammable liquids] H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501

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