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Disuccinimidyl Carbonate
CAS: 74124-79-1 | C9H8N2O7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
74124-79-1
Molecular Formula:
C9H8N2O7
Molecular Mass:
256.17 g/mol
Names and Synonyms:
Disuccinimidyl Carbonate
Carbonic acid, bis(2,5-dioxo-1-pyrrolidinyl) ester
2,5-Pyrrolidinedione, 1,1′-[carbonylbis(oxy)]bis-
Disuccinimidyl carbonate
N,N′-Disuccinimidyl carbonate
N,N′-Disuccinimido carbonate
Disuccimidyl carbonate
Bis(N-succinimidyl) carbonate
1-[[[(2,5-Dioxo-1-pyrrolidinyl)oxy]carbonyl]oxy]-2,5-pyrrolidinedione
Carbonic acid bis(2,5-dioxopyrrolidin-1-yl) ester
Di(2,5-dioxopyrrolidin-1-yl) carbonate
Bis(succinimidyl) carbonate
N,N-Disuccinimidyl carbonate
Bis(2,5-dioxopyrrolidin-1-yl) carbonate
DSC
Carbonic acid disuccinimidyl ester
Disuccinimide carbonate
Di(N-succinimidyl) carbonate
Identifiers:
SMILES:
O=C(ON1C(=O)CCC1=O)ON1C(=O)CCC1=O
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
Key Properties
Melting Point
209-211 °C
CAS Common Chemistry
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 | 256.17 g/mol | CAS Common Chemistry |
| 256.16999999999996 g/mol | RDKit | |
| 256.03315059600004 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 |
| LogP | -0.7324000000000004 | RDKit |
| Molar Refractivity | 49.74000000000001 | RDKit |
