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N-Nitrosopyrrolidine
CAS: 930-55-2 | C4H8N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
930-55-2
Molecular Formula:
C4H8N2O
Names and Synonyms:
N-Nitrosopyrrolidine
Pyrrolidine, 1-nitroso-
1-Nitrosopyrrolidine
N-Nitrosopyrrolidine
NSC 18797
NPYR
Identifiers:
SMILES:
O=NN1CCCC1
InChI:
InChI=1S/C4H8N2O/c7-5-6-3-1-2-4-6/h1-4H2
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 |
|---|---|---|
| Physical Properties | 100.12 g/mol | Legacy Database |
| 1.10 g/cm³ | Legacy Database | |
| 214 °C @ Press: 760 Torr | Legacy Database | |
| O=NN1CCCC1 | Legacy Database | |
| 1.10 g/cm3 | Legacy Database | |
| InChI=1S/C4H8N2O/c7-5-6-3-1-2-4-6/h1-4H2 | Legacy Database | |
| InChIKey=WNYADZVDBIBLJJ-UHFFFAOYSA-N | Legacy Database | |
| N-Nitrosopyrrolidine | Legacy Database | |
| 0.7636000000000001 | RDKit | |
| Molecular | 100.12100000000001 g/mol | RDKit |
| Exact | 100.063662876 g/mol | RDKit |
| Heavy | 7 count | RDKit |
| Hydrogen | 2 count | RDKit |
| 0 count | RDKit | |
| Rotatable | 1 count | RDKit |
| Aromatic | 0 count | RDKit |
| Topological | 32.67 Ų | RDKit |
| Molar | 26.60199999999999 | RDKit |
