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Pz 33
CAS: 52234-82-9 | C21H35N3O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
52234-82-9
Molecular Formula:
C21H35N3O6
Molecular Mass:
425.53 g/mol
Names and Synonyms:
Pz 33
1-Aziridinepropanoic acid, 1,1′-[2-[[3-(1-aziridinyl)-1-oxopropoxy]methyl]-2-ethyl-1,3-propanediyl] ester
1-Aziridinepropanoic acid, 2-[[3-(1-aziridinyl)-1-oxopropoxy]methyl]-2-ethyl-1,3-propanediyl ester
Trimethylolpropane tris[3-(1-aziridinyl)propionate]
Trimethylolpropane tris(β-ethyleniminopropionate)
Trimethylolpropane tris(3-aziridinopropionate)
Trimethylolpropane tris(ω-aziridinylpropionate)
Chemitite PZ 33
TAZM
2,2-Bis(hydroxymethyl)butanol tris[3-(1-aziridinyl)propionate]
TAZ (ester)
TAZ
PZ 33
Chemitite PZ 32
2,2-Bishydroxybutyl tris[3-(1-aziridinyl)propionate]
Trimethylolpropane tris(β-aziridinylpropionate)
Xama 2
Trimethylolpropanetris(β-aziridinopropionate)
Aracoat CL 2502
CL 422
XR 100
XR 100 (crosslinking agent)
Chemitite PZ
TAZ-M
XC 103
2,2-Bis[3-(aziridin-1-yl)propanoyloxymethyl]butyl 3-(aziridin-1-yl)propanoate
JS
Crosslinker JS
Identifiers:
SMILES:
CCC(COC(=O)CCN1CC1)(COC(=O)CCN1CC1)COC(=O)CCN1CC1
InChI:
InChI=1S/C21H35N3O6/c1-2-21(15-28-18(25)3-6-22-9-10-22,16-29-19(26)4-7-23-11-12-23)17-30-20(27)5-8-24-13-14-24/h2-17H2,1H3
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 | 425.53 g/mol | CAS Common Chemistry |
| 425.5260000000003 g/mol | RDKit | |
| 425.25258584 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC(COC(=O)CCN1CC1)(COC(=O)CCN2CC2)CC)CCN3CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C21H35N3O6/c1-2-21(15-28-18(25)3-6-22-9-10-22,16-29-19(26)4-7-23-11-12-23)17-30-20(27)5-8-24-13-14-24/h2-17H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KDRBAEZRIDZKRP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | PZ 33 | CAS Common Chemistry |
| Heavy Atom Count | 30 | 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 | 0.12950000000000328 | RDKit |
| Molar Refractivity | 108.77200000000006 | RDKit |
