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Molecule
Pz 33
CAS: 52234-82-9 · C21H35N3O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 52234-82-9
- Molecular Formula
- C21H35N3O6
- Molecular Mass
- 425.53 g/mol
Identifiers
CAS Registry Number
52234-82-9
SMILES
CCC(COC(=O)CCN1CC1)(COC(=O)CCN1CC1)COC(=O)CCN1CC1
InChI Key
KDRBAEZRIDZKRP-UHFFFAOYSA-N
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
Names and Synonyms
- Pz 33 Common Name
- 1-Aziridinepropanoic acid, 1,1′-[2-[[3-(1-aziridinyl)-1-oxopropoxy]methyl]-2-ethyl-1,3-propanediyl] ester Synonym
- 1-Aziridinepropanoic acid, 2-[[3-(1-aziridinyl)-1-oxopropoxy]methyl]-2-ethyl-1,3-propanediyl ester Synonym
- Trimethylolpropane tris[3-(1-aziridinyl)propionate] Synonym
- Trimethylolpropane tris(β-ethyleniminopropionate) Synonym
- Trimethylolpropane tris(3-aziridinopropionate) Synonym
- Trimethylolpropane tris(ω-aziridinylpropionate) Synonym
- Chemitite PZ 33 Synonym
- TAZM Synonym
- 2,2-Bis(hydroxymethyl)butanol tris[3-(1-aziridinyl)propionate] Synonym
- TAZ (ester) Synonym
- TAZ Synonym
- PZ 33 Synonym
- Chemitite PZ 32 Synonym
- 2,2-Bishydroxybutyl tris[3-(1-aziridinyl)propionate] Synonym
- Trimethylolpropane tris(β-aziridinylpropionate) Synonym
- Xama 2 Synonym
- Trimethylolpropanetris(β-aziridinopropionate) Synonym
- Aracoat CL 2502 Synonym
- CL 422 Synonym
- XR 100 Synonym
- XR 100 (crosslinking agent) Synonym
- Chemitite PZ Synonym
- TAZ-M Synonym
- XC 103 Synonym
- 2,2-Bis[3-(aziridin-1-yl)propanoyloxymethyl]butyl 3-(aziridin-1-yl)propanoate Synonym
- JS Synonym
- Crosslinker JS Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 425.53 g/mol | CAS Common Chemistry |
| 425.5260000000003 g/mol | RDKit | |
| 425.526 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 |
| 87.93 Ų | RDKit | |
| LogP | 0.12950000000000328 | RDKit |
| 0.1295 | RDKit | |
| Molar Refractivity | 108.77200000000006 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8571 | RDKit |
| 0.86 | chempirical lib | |
| Exact Mass | 425.25258584 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
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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 = 425.53 g/mol. Edit any field — others recompute live.
