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CAS 15467-20-6 Nitrilotriacetic Acid Disodium Salt molecular structure lightbox
CAS RN: 15467-20-6

Nitrilotriacetic Acid Disodium Salt

  • Product code: SSC-064015
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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: ≥95%
  • 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 15467-20-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

15467-20-6 / disodium;2-[carboxylatomethyl(carboxymethyl)amino]acetate

Standard CAS: 15467-20-6 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
15467-20-6
Multi CAS
No
Molecular Formula
C6H7NNa2O6
Molecular Weight
235.100000
Exact Mass
235.006876
SMILES
C(C(=O)O)N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C6H9NO6.2Na/c8-4(9)1-7(2-5(10)11)3-6(12)13;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);;/q;2*+1/p-2
InChIKey
RHPXYIKALIRNFA-UHFFFAOYSA-L

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
1
Molar refractivity
34.09
TPSA
120.8

LogP / Solubility

WLOGP
-10.12
MLOGP
-8.9
XLogP3
-10.12
Consensus LogP
-9.71
Log S (ESOL)
5.47
Class (ESOL)
Highly soluble
Log S (Ali)
5.82
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
6.49
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)
-11.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H351 (93.2%): Suspected of causing cancer [Warning Carcinogenicity] H302: Harmful if swallowed [Warning Acute toxicity, oral] H350: May cause cancer [Danger Carcinogenicity] H371: May cause damage to organs [Warning Specific target organ toxicity, single exposure]
Precautionary Statement Codes
P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 P203, P260, P264, P270, P280, P301+P317, P308+P316, P318, P330, P405, and P501

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