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Molecule
Disuccinimidyl Carbonate
CAS: 74124-79-1 · C9H8N2O7
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 74124-79-1
- Molecular Formula
- C9H8N2O7
- Molecular Mass
- 256.17 g/mol
Identifiers
CAS Registry Number
74124-79-1
SMILES
O=C(ON1C(=O)CCC1=O)ON1C(=O)CCC1=O
InChI Key
PFYXSUNOLOJMDX-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2O7/c12-5-1-2-6(13)10(5)17-9(16)18-11-7(14)3-4-8(11)15/h1-4H2
Names and Synonyms
- Disuccinimidyl Carbonate Synonym
- Carbonic acid, bis(2,5-dioxo-1-pyrrolidinyl) ester Synonym
- 2,5-Pyrrolidinedione, 1,1′-[carbonylbis(oxy)]bis- Synonym
- Disuccinimidyl carbonate Synonym
- N,N′-Disuccinimidyl carbonate Synonym
- N,N′-Disuccinimido carbonate Synonym
- Disuccimidyl carbonate Synonym
- Bis(N-succinimidyl) carbonate Synonym
- 1-[[[(2,5-Dioxo-1-pyrrolidinyl)oxy]carbonyl]oxy]-2,5-pyrrolidinedione Synonym
- Carbonic acid bis(2,5-dioxopyrrolidin-1-yl) ester Synonym
- Di(2,5-dioxopyrrolidin-1-yl) carbonate Synonym
- Bis(succinimidyl) carbonate Synonym
- N,N-Disuccinimidyl carbonate Synonym
- Bis(2,5-dioxopyrrolidin-1-yl) carbonate Synonym
- DSC Synonym
- Carbonic acid disuccinimidyl ester Synonym
- Disuccinimide carbonate Synonym
- Di(N-succinimidyl) carbonate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 256.17 g/mol | CAS Common Chemistry |
| 256.16999999999996 g/mol | RDKit | |
| Canonical SMILES | O=C(ON1C(=O)CCC1=O)ON2C(=O)CCC2=O | CAS Common Chemistry |
| InChI | InChI=1S/C9H8N2O7/c12-5-1-2-6(13)10(5)17-9(16)18-11-7(14)3-4-8(11)15/h1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PFYXSUNOLOJMDX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 209-211 °C | CAS Common Chemistry |
| Name | Disuccinimidyl carbonate | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 110.28999999999999 Ų | RDKit |
| 110.29 Ų | RDKit | |
| 109.83 Ų | chempirical lib | |
| LogP | -0.7324000000000004 | RDKit |
| -0.7324 | RDKit | |
| Molar Refractivity | 49.74000000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4444 | RDKit |
| 0.44 | chempirical lib | |
| Exact Mass | 256.03315059600004 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 |
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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 = 256.17 g/mol. Edit any field — others recompute live.
