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CAS 164462-16-2 Trisodium N-(1-Carboxylatoethyl)iminodiacetate molecular structure lightbox
CAS RN: 164462-16-2

Trisodium N-(1-Carboxylatoethyl)iminodiacetate

  • Product code: SSC-071903
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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 164462-16-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞95% 0 Out of Stock Shanghai Inquiry

164462-16-2 / trisodium;2-[bis(carboxylatomethyl)amino]propanoate

Standard CAS: 164462-16-2 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
164462-16-2
Multi CAS
No
Molecular Formula
C7H8NNa3O6
Molecular Weight
271.110000
Exact Mass
271.004470
SMILES
CC(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+]
InChI
InChI=1S/C7H11NO6.3Na/c1-4(7(13)14)8(2-5(9)10)3-6(11)12;;;/h4H,2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14);;;/q;3*+1/p-3
InChIKey
OHOTVSOGTVKXEL-UHFFFAOYSA-K

Physical Properties

Physical Description
Liquid; Pellets or Large Crystals
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.57
Rotatable bonds
6
H-bond acceptors
7
Molar refractivity
36.06
TPSA
123.63

LogP / Solubility

WLOGP
-14.06
MLOGP
-12.37
XLogP3
-14.06
Consensus LogP
-13.5
Log S (ESOL)
7.73
Class (ESOL)
Highly soluble
Log S (Ali)
8.37
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
9.53
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)
-14.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Corrosive
Signal
Warning
GHS Hazard Statements
H290 (22.8%): May be corrosive to metals [Warning Corrosive to Metals] H290 (35.8%): May be corrosive to metals [Warning Corrosive to Metals]
Precautionary Statement Codes
P234, P390, and P406

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