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Molecule
Egta (Chemical)
CAS: 67-42-5 · C14H24N2O10
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 67-42-5
- Molecular Formula
- C14H24N2O10
- Molecular Mass
- 380.35 g/mol
Identifiers
CAS Registry Number
67-42-5
SMILES
O=C(O)CN(CCOCCOCCN(CC(=O)O)CC(=O)O)CC(=O)O
InChI Key
DEFVIWRASFVYLL-UHFFFAOYSA-N
InChI
InChI=1S/C14H24N2O10/c17-11(18)7-15(8-12(19)20)1-3-25-5-6-26-4-2-16(9-13(21)22)10-14(23)24/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
Names and Synonyms
- Egta (Chemical) Synonym
- 6,9-Dioxa-3,12-diazatetradecanedioic acid, 3,12-bis(carboxymethyl)- Synonym
- Acetic acid, [ethylenebis(oxyethylenenitrilo)]tetra- Synonym
- 3,12-Bis(carboxymethyl)-6,9-dioxa-3,12-diazatetradecanedioic acid Synonym
- EBONTA Synonym
- EGTA Synonym
- [Ethylenebis(oxyethylenenitrilo)]tetraacetic acid Synonym
- Ethylene glycol bis(β-aminoethyl ether)-N,N,N′,N′-tetraacetic acid Synonym
- GEDTA Synonym
- Ethylene glycol bis(2-aminoethyl ether)-N,N,N′,N′-tetraacetic acid Synonym
- 2,2′-Ethylenedioxybis(ethylamine)-N,N,N′,N′-tetraacetic acid Synonym
- 3,6-Dioxaoctane-1,8-diamine-N,N,N′,N′-tetraacetic acid Synonym
- Egtazic acid Synonym
- 1,2-Bis(2-aminoethoxyethane)-N,N,N′,N′-tetraacetic acid Synonym
- EDGA Synonym
- NSC 615010 Synonym
- Chelest GEA Synonym
- O,O′-Bis(2-aminoethyl)ethylene glycol-N,N,N′,N′-tetraacetic acid Synonym
- Glycoletherdiamine-N,N,N′,N′-tetraacetic acid Synonym
- 3,12-bis(carboxymethyl)-6,9-dioxa-3,12-diazatetradecane-1,14-dioic acid Synonym
- 3,6-Dioxaoctane-1,8-diamine-N,N,N′,N′-tetracetic acid Synonym
- Ethylene glycol tetraacetic acid Synonym
- 2-[2-[2-[2-[Bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 380.35 g/mol | CAS Common Chemistry |
| 380.35000000000014 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/EGTA_(chemical) | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CN(CC(=O)O)CCOCCOCCN(CC(=O)O)CC(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C14H24N2O10/c17-11(18)7-15(8-12(19)20)1-3-25-5-6-26-4-2-16(9-13(21)22)10-14(23)24/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24) | CAS Common Chemistry |
| InChI Key | InChIKey=DEFVIWRASFVYLL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | EGTA | CAS Common Chemistry |
| EGTA (chemical) | CAS Common Chemistry | |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 17 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 174.14 Ų | RDKit |
| 173.68 Ų | chempirical lib | |
| LogP | -2.037999999999993 | RDKit |
| -2.038 | RDKit | |
| Molar Refractivity | 85.06120000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7143 | RDKit |
| 0.71 | chempirical lib | |
| Exact Mass | 380.1430949679999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 380.35 g/mol. Edit any field — others recompute live.
