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N-Hydroxysuccinimide
CAS: 6066-82-6 | C4H5NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6066-82-6
Molecular Formula:
C4H5NO3
Molecular Mass:
115.09 g/mol
Names and Synonyms:
N-Hydroxysuccinimide
2,5-Pyrrolidinedione, 1-hydroxy-
Succinimide, N-hydroxy-
1-Hydroxy-2,5-pyrrolidinedione
N-Hydroxysuccinimide
Hydroxysuccinimide
1-Hydroxysuccinimide
N-Hydroxy-2,5-dioxopyrrolidine
NSC 74335
N-Hydroxypyrrolidine-2,5-dione
NHS
Identifiers:
SMILES:
O=C1CCC(=O)N1O
InChI:
InChI=1S/C4H5NO3/c6-3-1-2-4(7)5(3)8/h8H,1-2H2
Key Properties
Melting Point
97-98 °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 | 115.09 g/mol | CAS Common Chemistry |
| 115.088 g/mol | RDKit | |
| 115.02694302 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N-Hydroxysuccinimide | CAS Common Chemistry |
| Canonical SMILES | O=C1N(O)C(=O)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H5NO3/c6-3-1-2-4(7)5(3)8/h8H,1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=NQTADLQHYWFPDB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 97-98 °C | CAS Common Chemistry |
| Name | N-Hydroxysuccinimide | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.61 Ų | RDKit |
| LogP | -0.4754 | RDKit |
| Molar Refractivity | 22.873499999999993 | RDKit |
