CAS RN: 13433-00-6
Diethyl Aminomalonate Hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251224 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-041937
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: 5g, 10g, 25g, 100g, 500g, 1000g
- Available purity: 97%
- Inventory rows with stock: 3
- 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 |
|---|---|---|---|---|
| 5g | 97% | 5 In Stock | Hong Kong | Inquiry |
| 10g | 97% | 5 In Stock | Shenzhen | Inquiry |
| 25g | 97% | 5 In Stock | Hong Kong | Inquiry |
| 100g | 97% | 0 Out of Stock | Shenzhen | Inquiry |
| 500g | 97% | 0 Out of Stock | Shenzhen | Inquiry |
| 1000g | 97% | 0 Out of Stock | Shanghai | Inquiry |
13433-00-6 / diethyl 2-aminopropanedioate;hydrochloride
Basic Information
CAS
13433-00-6
Multi CAS
No
Molecular Formula
C7H14ClNO4
Molecular Weight
211.640000
Exact Mass
211.061136
SMILES
CCOC(=O)C(C(=O)OCC)N.Cl
InChI
InChI=1S/C7H13NO4.ClH/c1-3-11-6(9)5(8)7(10)12-4-2;/h5H,3-4,8H2,1-2H3;1H
InChIKey
GLFVNTDRBTZJIY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
48.49
TPSA
78.62
LogP / Solubility
WLOGP
-0.14
MLOGP
-0.12
XLogP3
-0.14
Consensus LogP
-0.13
Log S (ESOL)
-0.8
Class (ESOL)
Very soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
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)
-4.11
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
H315 (90.6%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (90.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (88.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
