Back to Search
Propyleneimine
CAS: 75-55-8 | C3H7N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
75-55-8
Molecular Formula:
C3H7N
Molecular Weight:
57.096 g/mol
Names and Synonyms:
Propyleneimine
Common Name
NSC 20655
Synonym
DL-2-Methylaziridine
Synonym
2-Methylethylenimine
Synonym
1,2-Propylenimine
Synonym
Propylenimine
Synonym
2-Methylaziridine
Synonym
Aziridine, 2-methyl-
Synonym
Identifiers:
SMILES:
CC1CN1
InChI:
InChI=1S/C3H7N/c1-3-2-4-3/h3-4H,2H2,1H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 57.10 g/mol | Legacy Database |
| density | 0.81 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Propyleneimine None | Legacy Database |
| cas-boiling-point | 66-67 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | N1CC1C None | Legacy Database |
| cas-density | 0.812 g/cm3 @ Temp: 16 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3H7N/c1-3-2-4-3/h3-4H,2H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=OZDGMOYKSFPLSE-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -65 °C None | Legacy Database |
| cas-name | 2-Methylaziridine None | Legacy Database |
| wikipedia-name | Propyleneimine None | Legacy Database |
| LogP | -0.021899999999999975 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 57.096 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 57.057849223999995 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 17.464700000000004 | RDKit |