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Molecule
N,N′-Bis(Acryloyl)Cystamine
CAS: 60984-57-8 · C10H16N2O2S2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 60984-57-8
- Molecular Formula
- C10H16N2O2S2
- Molecular Mass
- 260.38 g/mol
Identifiers
CAS Registry Number
60984-57-8
SMILES
C=CC(O)=NCCSSCCN=C(O)C=C
InChI Key
DJVKJGIZQFBFGS-UHFFFAOYSA-N
InChI
InChI=1S/C10H16N2O2S2/c1-3-9(13)11-5-7-15-16-8-6-12-10(14)4-2/h3-4H,1-2,5-8H2,(H,11,13)(H,12,14)
Names and Synonyms
- N,N′-Bis(Acryloyl)Cystamine Systematic Name
- 2-Propenamide, N,N′-(dithiodi-2,1-ethanediyl)bis- Synonym
- N,N′-(Dithiodi-2,1-ethanediyl)bis[2-propenamide] Synonym
- Bisacrylylcystamine Synonym
- N,N′-Bisacrylylcystamine Synonym
- N,N′-Cystaminebisacrylamide Synonym
- NSC 328582 Synonym
- N,N′-Bis(acryloyl)cystamine Synonym
- Cystamine bisacrylamide Synonym
- N,N′-Diacryloylcystamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 260.38 g/mol | CAS Common Chemistry |
| 260.384 g/mol | RDKit | |
| 260.37 g/mol | chempirical lib | |
| Canonical SMILES | O=C(C=C)NCCSSCCNC(=O)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C10H16N2O2S2/c1-3-9(13)11-5-7-15-16-8-6-12-10(14)4-2/h3-4H,1-2,5-8H2,(H,11,13)(H,12,14) | CAS Common Chemistry |
| InChI Key | InChIKey=DJVKJGIZQFBFGS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 120-123 °C @ Solvent: Ethyl acetate, Heptane | CAS Common Chemistry |
| Name | N,N′-Bis(acryloyl)cystamine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 65.18 Ų | RDKit |
| LogP | 2.6528 | RDKit |
| 2.74 | chempirical lib | |
| Molar Refractivity | 75.17160000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 260.065319752 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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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 = 260.38 g/mol. Edit any field — others recompute live.
