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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
Names and Synonyms:
N1,N1,N6,N6-Tetrakis(2-Hydroxyethyl)Hexanediamide
Hexanediamide, N1,N1,N6,N6-tetrakis(2-hydroxyethyl)-
Hexanediamide, N,N,N′,N′-tetrakis(2-hydroxyethyl)-
N1,N1,N6,N6-Tetrakis(2-hydroxyethyl)hexanediamide
N,N,N′,N′-Tetrakis(2-hydroxyethyl)adipamide
Primid XL 552
SA 552
Bis[N,N-di(β-hydroxyethyl)] adipamide
NSC 27129
XL 552
N,N,N′,N′-Tetra(2-hydroxyethyl)hexane-1,6-diamide
Vestagon HA 320
N,N,N′,N′-Tetrakis(2-hydroxyethyl)hexanediamide
T 105 (amide)
T 105
N,N,N′,N′-Tetrakis(β-hydroxyethyl)adipamide
P 552
AHA 6552
Identifiers:
SMILES:
O=C(CCCCC(=O)N(CCO)CCO)N(CCO)CCO
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 320.39 g/mol | CAS Common Chemistry |
| 320.3860000000001 g/mol | RDKit | |
| 320.19473661599994 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 |
| LogP | -1.8267999999999964 | RDKit |
| Molar Refractivity | 79.97120000000004 | RDKit |
