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Molecule
N1,N1,N6,N6-Tetrakis(2-Hydroxyethyl)Hexanediamide
CAS: 6334-25-4 · C14H28N2O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6334-25-4
- Molecular Formula
- C14H28N2O6
- Molecular Mass
- 320.39 g/mol
Identifiers
CAS Registry Number
6334-25-4
SMILES
O=C(CCCCC(=O)N(CCO)CCO)N(CCO)CCO
InChI Key
OKRNLSUTBJUVKA-UHFFFAOYSA-N
InChI
InChI=1S/C14H28N2O6/c17-9-5-15(6-10-18)13(21)3-1-2-4-14(22)16(7-11-19)8-12-20/h17-20H,1-12H2
Names and Synonyms
- N1,N1,N6,N6-Tetrakis(2-Hydroxyethyl)Hexanediamide Systematic Name
- Hexanediamide, N1,N1,N6,N6-tetrakis(2-hydroxyethyl)- Synonym
- Hexanediamide, N,N,N′,N′-tetrakis(2-hydroxyethyl)- Synonym
- N1,N1,N6,N6-Tetrakis(2-hydroxyethyl)hexanediamide Synonym
- N,N,N′,N′-Tetrakis(2-hydroxyethyl)adipamide Synonym
- Primid XL 552 Synonym
- SA 552 Synonym
- Bis[N,N-di(β-hydroxyethyl)] adipamide Synonym
- NSC 27129 Synonym
- XL 552 Synonym
- N,N,N′,N′-Tetra(2-hydroxyethyl)hexane-1,6-diamide Synonym
- Vestagon HA 320 Synonym
- N,N,N′,N′-Tetrakis(2-hydroxyethyl)hexanediamide Synonym
- T 105 (amide) Synonym
- T 105 Synonym
- N,N,N′,N′-Tetrakis(β-hydroxyethyl)adipamide Synonym
- P 552 Synonym
- AHA 6552 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 320.39 g/mol | CAS Common Chemistry |
| 320.3860000000001 g/mol | RDKit | |
| 320.386 g/mol | RDKit | |
| Canonical SMILES | O=C(N(CCO)CCO)CCCCC(=O)N(CCO)CCO | CAS Common Chemistry |
| InChI | InChI=1S/C14H28N2O6/c17-9-5-15(6-10-18)13(21)3-1-2-4-14(22)16(7-11-19)8-12-20/h17-20H,1-12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OKRNLSUTBJUVKA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N1,N1,N6,N6-Tetrakis(2-hydroxyethyl)hexanediamide | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 121.54 Ų | RDKit |
| 121.08 Ų | chempirical lib | |
| LogP | -1.8267999999999964 | RDKit |
| -1.8268 | RDKit | |
| Molar Refractivity | 79.97120000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8571 | RDKit |
| 0.86 | chempirical lib | |
| Exact Mass | 320.19473661599994 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 320.39 g/mol. Edit any field — others recompute live.
