![CAS 115777-56-5 HydroxylaMine, O-[(2-Methylphenyl)Methyl]-, hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/115777-56-5.gif)
CAS RN: 115777-56-5
HydroxylaMine, O-[(2-Methylphenyl)Methyl]-, hydrochloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250622 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS115777-56-5
- Purity/Analytical Methods: >99.0%
115777-56-5 / O-[(2-methylphenyl)methyl]hydroxylamine;hydrochloride
O-(2-methylbenzyl)hydroxylamine hydrochloride | O-[(2-methylphenyl)methyl]hydroxylamine;hydrochloride | Hydroxylamine, O-[(2-methylphenyl)methyl]-, hydrochloride
Basic Information
CAS
115777-56-5
Multi CAS
No
Molecular Formula
C8H12ClNO
Molecular Weight
173.640000
Exact Mass
173.060742
SMILES
CC1=CC=CC=C1CON.Cl
InChI
InChI=1S/C8H11NO.ClH/c1-7-4-2-3-5-8(7)6-10-9;/h2-5H,6,9H2,1H3;1H
InChIKey
SBFMICWCOXGUSR-UHFFFAOYSA-N
Synonyms
O-(2-methylbenzyl)hydroxylamine hydrochloride
O-[(2-methylphenyl)methyl]hydroxylamine;hydrochloride
Hydroxylamine, O-[(2-methylphenyl)methyl]-, hydrochloride
SCHEMBL11010682
CS-B1209
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.4
TPSA
35.25
LogP / Solubility
WLOGP
1.81
MLOGP
1.59
XLogP3
1.81
Consensus LogP
1.74
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-2.5
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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