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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 Mass:
57.10 g/mol
Names and Synonyms:
Propyleneimine
Aziridine, 2-methyl-
2-Methylaziridine
Propylenimine
1,2-Propylenimine
2-Methylethylenimine
DL-2-Methylaziridine
NSC 20655
Identifiers:
SMILES:
CC1CN1
InChI:
InChI=1S/C3H7N/c1-3-2-4-3/h3-4H,2H2,1H3
Key Properties
Boiling Point
66-67 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-65 °C
CAS Common Chemistry
Density
0.81 g/cm³
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 | 57.10 g/mol | CAS Common Chemistry |
| 57.096 g/mol | RDKit | |
| 57.057849223999995 g/mol | RDKit | |
| Density | 0.81 g/cm³ | CAS Common Chemistry |
| 0.812 g/cm3 @ Temp: 16 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Propyleneimine | CAS Common Chemistry |
| Boiling Point | 66-67 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | N1CC1C | CAS Common Chemistry |
| InChI | InChI=1S/C3H7N/c1-3-2-4-3/h3-4H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OZDGMOYKSFPLSE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -65 °C | CAS Common Chemistry |
| Name | 2-Methylaziridine | CAS Common Chemistry |
| Propyleneimine | CAS Common Chemistry | |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 21.94 Ų | RDKit |
| LogP | -0.021899999999999975 | RDKit |
| Molar Refractivity | 17.464700000000004 | RDKit |
