CAS RN: 10576-12-2
Ethyl Acetohydroximate
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-007458
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 25g, 5g, 100g, 10g, 500g
- Available purity: >97%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 25g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 5g | >97% | 4 In Stock | Shanghai | Inquiry |
| 100g | >97% | 3 In Stock | Hong Kong | Inquiry |
| 10g | >97% | 2 In Stock | Beijing | Inquiry |
| 500g | >97% | 2 In Stock | Shenzhen | Inquiry |
10576-12-2 / ethyl (1E)-N-hydroxyethanimidate
Ethyl acetohydroximate | RefChem:138198 | Ethyl N-hydroxyethanimidate
Basic Information
CAS
10576-12-2
Multi CAS
Yes
Molecular Formula
C4H9NO2
Molecular Weight
103.120000
Exact Mass
103.063329
SMILES
CCO/C(=N/O)/C
InChI
InChI=1S/C4H9NO2/c1-3-7-4(2)5-6/h6H,3H2,1-2H3/b5-4+
InChIKey
QWKAVVNRCKPKNM-SNAWJCMRSA-N
Synonyms
Ethyl acetohydroximate
RefChem:138198
Ethyl N-hydroxyethanimidate
Ethanimidic acid, N-hydroxy-, ethyl ester
Ethyl acetohydroxamate
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
26.52
TPSA
41.82
LogP / Solubility
WLOGP
0.83
MLOGP
0.72
XLogP3
0.7
Consensus LogP
0.75
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
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)
-2.76
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
Signal
Warning
GHS Hazard Statements
H226 (89.1%): Flammable liquid and vapor [Warning Flammable liquids]
H315 (13%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (15.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (10.9%): 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, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501
