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Aziridine
CAS: 151-56-4 | C2H5N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
151-56-4
Molecular Formula:
C2H5N
Molecular Weight:
43.068999999999996 g/mol
Names and Synonyms:
Aziridine
CF 100
MX 100
Hongsui HS 100
HS 100
SC 100
CS 100
CS 100 (crosslinking agent)
E 100
Binary Ethyleneimine
Q 043
Soluol XC 100
Q 043 (amine)
Fast MEG
Aziran
Ethyleneimine
EI
Dimethylenimine
Azacyclopropane
Ethylenimine
Aziridine
Identifiers:
SMILES:
C1CN1
InChI:
InChI=1S/C2H5N/c1-2-3-1/h3H,1-2H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 43.068999999999996 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 43.042199159999996 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 21.94 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.41040000000000004 | RDKit |
| molecular_mass | 43.07 g/mol | Legacy Database |
| density | 0.83 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Aziridine None | Legacy Database |
| cas-boiling-point | 56-57 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | N1CC1 None | Legacy Database |
| cas-density | 0.8321 g/cm3 @ Temp: 24 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2H5N/c1-2-3-1/h3H,1-2H2 None | Legacy Database |
| cas-inchi-key | InChIKey=NOWKCMXCCJGMRR-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -74 °C None | Legacy Database |
| cas-name | Aziridine None | Legacy Database |
| wikipedia-name | Aziridine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 12.869700000000002 | RDKit |
