CAS RN: 1068-90-2
Diethyl Acetamidomalonate
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock3 grade groups
- Product code: SSC-008317
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: 25g, 100g, 500g, 1000g
- Available purity: ≥98%
- Inventory rows with stock: 8
- 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 |
|---|---|---|---|---|
| 25g | -- | 5 In Stock | Shanghai | Inquiry |
| 25g | ≥98% | 5 In Stock | Hong Kong | Inquiry |
| 100g | -- | 5 In Stock | Shanghai | Inquiry |
| 100g | ≥98% | 5 In Stock | Hong Kong | Inquiry |
| 500g | -- | 5 In Stock | Shanghai | Inquiry |
| 500g | ≥98% | 5 In Stock | Beijing | Inquiry |
| 1000g | -- | 2 In Stock | Shenzhen | Inquiry |
| 1000g | ≥98% | 2 In Stock | Shenzhen | Inquiry |
1068-90-2 / diethyl 2-acetamidopropanedioate
Diethyl acetamidomalonate | Diethyl 2-acetamidomalonate | Diethyl acetaminomalonate
Basic Information
CAS
1068-90-2
Multi CAS
Yes
Molecular Formula
C9H15NO5
Molecular Weight
217.220000
Exact Mass
217.095023
SMILES
CCOC(=O)C(C(=O)OCC)NC(=O)C
InChI
InChI=1S/C9H15NO5/c1-4-14-8(12)7(10-6(3)11)9(13)15-5-2/h7H,4-5H2,1-3H3,(H,10,11)
InChIKey
ISOLMABRZPQKOV-UHFFFAOYSA-N
Synonyms
Diethyl acetamidomalonate
Diethyl 2-acetamidomalonate
Diethyl acetaminomalonate
ACETAMIDOMALONIC ACID DIETHYL ESTER
Diethyl acetylaminomalonate
Physical Properties
Melting Point
95-96 °C
Boiling Point
185 °C @ 20 MM HG
Physical Description
Solid; [HSDB] White crystalline powder
Appearance
CRYSTALS FROM ALCOHOL OR BENZENE-PETROLEUM ETHER
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
50.87
TPSA
81.7
LogP / Solubility
WLOGP
-0.38
MLOGP
-0.33
XLogP3
0.3
Consensus LogP
-0.14
Log S (ESOL)
-0.62
Class (ESOL)
Very soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (15%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (15%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
