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Trimethylolpropane Tris(2-Methyl-1-Aziridinyl)Propionate
CAS: 64265-57-2 | C24H41N3O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
64265-57-2
Molecular Formula:
C24H41N3O6
Molecular Mass:
467.61 g/mol
Names and Synonyms:
Trimethylolpropane Tris(2-Methyl-1-Aziridinyl)Propionate
1-Aziridinepropanoic acid, 2-methyl-, 1,1′-[2-ethyl-2-[[3-(2-methyl-1-aziridinyl)-1-oxopropoxy]methyl]-1,3-propanediyl] ester
1-Aziridinepropanoic acid, 2-methyl-, 2-ethyl-2-[[3-(2-methyl-1-aziridinyl)-1-oxopropoxy]methyl]-1,3-propanediyl ester
CX 100
NeoCryl CX 100
Ionac PFAZ 322
PFAZ 322
Crosslinker CX 100
AS 316
2-Ethyl-2-[[3-(2-methyl-1-aziridinyl)-1-oxopropoxy]methyl]-1,3-propanediyl bis(2-methyl-1-aziridinepropanoate)
Permatex XR 2500
XR 2500
XC 113
Trimethylolpropane tris(2-methyl-1-aziridinyl)propionate
Crosslinker SC 100
PZ 28
Trimethylolpropane tris(2-methyl-1-aziridinepropionate)
CL 467
SaC 100
Permutex XR 2500
2-ethyl-2-(((3-(2-methylaziridin-1-yl)propanoyl)oxy)methyl)propane-1,3-diyl bis(3-(2-methylaziridin-1-yl)propanoate)
Identifiers:
SMILES:
CCC(COC(=O)CCN1CC1C)(COC(=O)CCN1CC1C)COC(=O)CCN1CC1C
InChI:
InChI=1S/C24H41N3O6/c1-5-24(15-31-21(28)6-9-25-12-18(25)2,16-32-22(29)7-10-26-13-19(26)3)17-33-23(30)8-11-27-14-20(27)4/h18-20H,5-17H2,1-4H3
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 | 467.61 g/mol | CAS Common Chemistry |
| 467.6070000000003 g/mol | RDKit | |
| 467.299536032 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC(COC(=O)CCN1CC1C)(COC(=O)CCN2CC2C)CC)CCN3CC3C | CAS Common Chemistry |
| InChI | InChI=1S/C24H41N3O6/c1-5-24(15-31-21(28)6-9-25-12-18(25)2,16-32-22(29)7-10-26-13-19(26)3)17-33-23(30)8-11-27-14-20(27)4/h18-20H,5-17H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YKEGOEUSKXVSPN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Trimethylolpropane tris(2-methyl-1-aziridinyl)propionate | CAS Common Chemistry |
| Heavy Atom Count | 33 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 16 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 87.93000000000002 Ų | RDKit |
| LogP | 1.2950000000000028 | RDKit |
| Molar Refractivity | 122.55700000000009 | RDKit |
