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CAS 14402-88-1 Ethylenediaminetetraacetic Acid Magnesium Disodium Salt Hydrate molecular structure lightbox
CAS RN: 14402-88-1

Ethylenediaminetetraacetic Acid Magnesium Disodium Salt Hydrate

  • Product code: SSC-055284
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 14402-88-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry

14402-88-1 / magnesium;disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate

Standard CAS: 14402-88-1 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
14402-88-1
Multi CAS
No
Molecular Formula
C10H12MgN2Na2O8
Molecular Weight
358.500000
Exact Mass
358.023946
SMILES
C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Mg+2]
InChI
InChI=1S/C10H16N2O8.Mg.2Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;+2;2*+1/p-4
InChIKey
AWNVVAMWLMUZOZ-UHFFFAOYSA-J

Physical Properties

Physical Description
Liquid; Dry Powder; Liquid, Other Solid; Other Solid; Pellets or Large Crystals White odorless crystalline solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.6
Rotatable bonds
11
H-bond acceptors
10
Molar refractivity
58.66
TPSA
167

LogP / Solubility

WLOGP
-13.78
MLOGP
-12.11
XLogP3
-13.78
Consensus LogP
-13.22
Log S (ESOL)
7.35
Class (ESOL)
Highly soluble
Log S (Ali)
7.45
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
8.13
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-14.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 127 of 133 companies (only 4.5% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

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