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CAS 611-22-3 N-hydroxy-2-toluidine molecular structure lightbox
CAS RN: 611-22-3

N-hydroxy-2-toluidine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250203 100mg / 250mg / 1g Confirm by inquiry Shandong Inquiry
  • Product code: starshine_CAS611-22-3
  • Purity/Analytical Methods: >99.0%
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611-22-3 / N-(2-methylphenyl)hydroxylamine

Standard CAS: 611-22-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
611-22-3
Multi CAS
No
Molecular Formula
C7H9NO
Molecular Weight
123.150000
Exact Mass
123.068414
InChI
InChI=1S/C7H9NO/c1-6-4-2-3-5-7(6)8-9/h2-5,8-9H,1H3
InChIKey
OMYXQGTUTCZGCI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
36.59
TPSA
32.26

LogP / Solubility

WLOGP
1.8
MLOGP
1.57
XLogP3
1.7
Consensus LogP
1.69
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
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)
-2.2

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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