CAS RN: 2912-98-3
N-(1-PYRIDIN-4-YL-ETHYL)-HYDROXYLAMINE
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.20250724 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2912-98-3
- Purity/Analytical Methods: >99.0%
2912-98-3 / N-(1-phenylethyl)hydroxylamine
Basic Information
CAS
2912-98-3
Multi CAS
No
Molecular Formula
C8H11NO
Molecular Weight
137.180000
Exact Mass
137.084064
InChI
InChI=1S/C8H11NO/c1-7(9-10)8-5-3-2-4-6-8/h2-7,9-10H,1H3
InChIKey
RRJRFNUPXQLYHX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.78
TPSA
32.26
LogP / Solubility
WLOGP
1.73
MLOGP
1.51
XLogP3
1.2
Consensus LogP
1.48
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.22
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)
-2.33
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
2
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