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Molecule
1,4-Bis(Acryloyl)Piperazine
CAS: 6342-17-2 · C10H14N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6342-17-2
- Molecular Formula
- C10H14N2O2
- Molecular Mass
- 194.23 g/mol
Identifiers
CAS Registry Number
6342-17-2
SMILES
C=CC(=O)N1CCN(C(=O)C=C)CC1
InChI Key
YERHJBPPDGHCRJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H14N2O2/c1-3-9(13)11-5-7-12(8-6-11)10(14)4-2/h3-4H,1-2,5-8H2
Names and Synonyms
- 1,4-Bis(Acryloyl)Piperazine Systematic Name
- 2-Propen-1-one, 1,1′-(1,4-piperazinediyl)bis- Synonym
- Piperazine, 1,4-diacryloyl- Synonym
- Piperazine, 1,4-bis(1-oxo-2-propenyl)- Synonym
- 1,1′-(1,4-Piperazinediyl)bis[2-propen-1-one] Synonym
- 1,4-Diacryloylpiperazine Synonym
- N,N′-Bisacryloylpiperazine Synonym
- 1,4-Bis(acryloyl)piperazine Synonym
- Diacrylylpiperazine Synonym
- NSC 133364 Synonym
- NSC 49404 Synonym
- Piperazine diacrylamide Synonym
- N,N′-Diacryloylpiperazine Synonym
- 1-[4-(Prop-2-enoyl)piperazin-1-yl]prop-2-en-1-one Synonym
- 1-(4-Prop-2-enoylpiperazin-1-yl)prop-2-en-1-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 194.23 g/mol | CAS Common Chemistry |
| 194.23399999999998 g/mol | RDKit | |
| 194.234 g/mol | RDKit | |
| Canonical SMILES | O=C(C=C)N1CCN(C(=O)C=C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H14N2O2/c1-3-9(13)11-5-7-12(8-6-11)10(14)4-2/h3-4H,1-2,5-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YERHJBPPDGHCRJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 97.8 °C | CAS Common Chemistry |
| Name | 1,4-Bis(acryloyl)piperazine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 40.620000000000005 Ų | RDKit |
| 40.62 Ų | RDKit | |
| 40.16 Ų | chempirical lib | |
| LogP | 0.029199999999999893 | RDKit |
| 0.0292 | RDKit | |
| Molar Refractivity | 53.55400000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 194.105527688 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 |
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200 ppm
180
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140
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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 = 194.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H14N2O2.
