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Molecule
N,N,N′,N′-Tetrakis(2-Hydroxyethyl)Ethylenediamine
CAS: 140-07-8 · C10H24N2O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 140-07-8
- Molecular Formula
- C10H24N2O4
- Molecular Mass
- 236.31 g/mol
Identifiers
CAS Registry Number
140-07-8
SMILES
OCCN(CCO)CCN(CCO)CCO
InChI Key
BYACHAOCSIPLCM-UHFFFAOYSA-N
InChI
InChI=1S/C10H24N2O4/c13-7-3-11(4-8-14)1-2-12(5-9-15)6-10-16/h13-16H,1-10H2
Names and Synonyms
- N,N,N′,N′-Tetrakis(2-Hydroxyethyl)Ethylenediamine Systematic Name
- Ethanol, 2,2′,2′′,2′′′-(1,2-ethanediyldinitrilo)tetrakis- Synonym
- Ethanol, 2,2′,2′′,2′′′-(ethylenedinitrilo)tetra- Synonym
- 2,2′,2′′,2′′′-(1,2-Ethanediyldinitrilo)tetrakis[ethanol] Synonym
- N,N,N′,N′-Tetrakis(2-hydroxyethyl)ethylenediamine Synonym
- THEED Synonym
- Ethylenedinitrilotetraethanol Synonym
- TKED Synonym
- 2,2′,2′′,2′′′-(Ethylenediimino)tetraethanol Synonym
- ENTOL Synonym
- N,N,N′,N′-Tetrakis(2-hydroxyethyl)-1,2-diaminoethane Synonym
- NSC 21705 Synonym
- 1,2-Bis[N,N-(2-hydroxyethyl)amino]ethane Synonym
- Sannix NE 240 Synonym
- N,N,N′,N′-Tetra(2-hydroxyethyl)ethylendiamine Synonym
- Adeka Carpol MD 100 Synonym
- Carpol MD 100 Synonym
- MD 100 Synonym
- N,N,N′,N′-Tetra(2-hydroxyethyl)ethylenediamine Synonym
- 2-[2-[Bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 236.31 g/mol | CAS Common Chemistry |
| 236.31199999999995 g/mol | RDKit | |
| 236.312 g/mol | RDKit | |
| Canonical SMILES | OCCN(CCO)CCN(CCO)CCO | CAS Common Chemistry |
| InChI | InChI=1S/C10H24N2O4/c13-7-3-11(4-8-14)1-2-12(5-9-15)6-10-16/h13-16H,1-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=BYACHAOCSIPLCM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N,N′,N′-Tetrakis(2-hydroxyethyl)ethylenediamine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 87.4 Ų | RDKit |
| 86.94 Ų | chempirical lib | |
| LogP | -2.4403999999999963 | RDKit |
| -2.4404 | RDKit | |
| Molar Refractivity | 61.223200000000055 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 236.173607248 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
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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 = 236.31 g/mol. Edit any field — others recompute live.
