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Molecule
Trimethylolpropane Tris(2-Methyl-1-Aziridinyl)Propionate
CAS: 64265-57-2 · C24H41N3O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 64265-57-2
- Molecular Formula
- C24H41N3O6
- Molecular Mass
- 467.61 g/mol
Identifiers
CAS Registry Number
64265-57-2
SMILES
CCC(COC(=O)CCN1CC1C)(COC(=O)CCN1CC1C)COC(=O)CCN1CC1C
InChI Key
YKEGOEUSKXVSPN-UHFFFAOYSA-N
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
Names and Synonyms
- Trimethylolpropane Tris(2-Methyl-1-Aziridinyl)Propionate Common Name
- 1-Aziridinepropanoic acid, 2-methyl-, 1,1′-[2-ethyl-2-[[3-(2-methyl-1-aziridinyl)-1-oxopropoxy]methyl]-1,3-propanediyl] ester Synonym
- 1-Aziridinepropanoic acid, 2-methyl-, 2-ethyl-2-[[3-(2-methyl-1-aziridinyl)-1-oxopropoxy]methyl]-1,3-propanediyl ester Synonym
- CX 100 Synonym
- NeoCryl CX 100 Synonym
- Ionac PFAZ 322 Synonym
- PFAZ 322 Synonym
- Crosslinker CX 100 Synonym
- AS 316 Synonym
- 2-Ethyl-2-[[3-(2-methyl-1-aziridinyl)-1-oxopropoxy]methyl]-1,3-propanediyl bis(2-methyl-1-aziridinepropanoate) Synonym
- Permatex XR 2500 Synonym
- XR 2500 Synonym
- XC 113 Synonym
- Trimethylolpropane tris(2-methyl-1-aziridinyl)propionate Synonym
- Crosslinker SC 100 Synonym
- PZ 28 Synonym
- Trimethylolpropane tris(2-methyl-1-aziridinepropionate) Synonym
- CL 467 Synonym
- SaC 100 Synonym
- Permutex XR 2500 Synonym
- 2-ethyl-2-(((3-(2-methylaziridin-1-yl)propanoyl)oxy)methyl)propane-1,3-diyl bis(3-(2-methylaziridin-1-yl)propanoate) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 467.61 g/mol | CAS Common Chemistry |
| 467.6070000000003 g/mol | RDKit | |
| 467.607 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 |
| 87.93 Ų | RDKit | |
| LogP | 1.2950000000000028 | RDKit |
| 1.295 | RDKit | |
| Molar Refractivity | 122.55700000000009 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.875 | RDKit |
| 0.88 | chempirical lib | |
| Exact Mass | 467.299536032 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 |
|---|
200 ppm
180
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20
0 ppm
| 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 = 467.61 g/mol. Edit any field — others recompute live.
