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CAS 139-89-9 Trisodium N-(2-Hydroxyethyl)ethylenediamine-N,N’,N’-triacetate Dihydrate molecular structure lightbox
CAS RN: 139-89-9

Trisodium N-(2-Hydroxyethyl)ethylenediamine-N,N’,N’-triacetate Dihydrate

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250219 100g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250624 1kg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260622 1L In stock Inquiry
Batchno.20250128 250ml In stock Inquiry
Batchno.20250321 500g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250824 5L In stock Inquiry
  • Product code: SSC-049147
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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: 500g
  • 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 139-89-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥95% 0 Out of Stock Beijing Inquiry

139-89-9 / 2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetic acid

Standard CAS: 139-89-9 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
139-89-9
Multi CAS
No
Molecular Formula
C10H18N2O7
Molecular Weight
278.260000
Exact Mass
278.111401
SMILES
C(CN(CC(=O)O)CC(=O)O)N(CCO)CC(=O)O
InChI
InChI=1S/C10H18N2O7/c13-4-3-11(5-8(14)15)1-2-12(6-9(16)17)7-10(18)19/h13H,1-7H2,(H,14,15)(H,16,17)(H,18,19)
InChIKey
URDCARMUOSMFFI-UHFFFAOYSA-N

Physical Properties

Melting Point
288 °C (hydate) 159 °C
Density
1.285
Physical Description
Dry Powder; Liquid Liquid; Dry Powder Solid; [Hawley] White odorless powder; Odorless crystalline powder
Appearance
SOLID
State
Solid
Storage Conditions
Store at ambient temperature. Keep container tightly closed.

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.7
Rotatable bonds
11
H-bond acceptors
6
H-bond donors
4
Molar refractivity
62.87
TPSA
138.61

LogP / Solubility

WLOGP
-2.16
MLOGP
-1.89
XLogP3
-6.2
Consensus LogP
-3.42
Log S (ESOL)
0.52
Class (ESOL)
Highly soluble
Log S (Ali)
-0.28
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.99
Class (SILICOS-IT)
Very 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)
-5.95

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302 (30.3%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (61.2%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (77.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (22.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H400 (47.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P391, and P501 P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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