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Molecule
Propyleneimine
CAS: 75-55-8 · C3H7N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 75-55-8
- Molecular Formula
- C3H7N
- Molecular Mass
- 57.10 g/mol
Identifiers
CAS Registry Number
75-55-8
SMILES
CC1CN1
InChI Key
OZDGMOYKSFPLSE-UHFFFAOYSA-N
InChI
InChI=1S/C3H7N/c1-3-2-4-3/h3-4H,2H2,1H3
Names and Synonyms
- Propyleneimine Common Name
- Aziridine, 2-methyl- Synonym
- 2-Methylaziridine Synonym
- Propylenimine Synonym
- 1,2-Propylenimine Synonym
- 2-Methylethylenimine Synonym
- DL-2-Methylaziridine Synonym
- NSC 20655 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 57.10 g/mol | CAS Common Chemistry |
| 57.096 g/mol | RDKit | |
| Density | 0.81 g/cm³ | CAS Common Chemistry |
| 0.812 g/cm3 @ 16 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Propyleneimine | 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 |
| -0.0219 | RDKit | |
| Molar Refractivity | 17.464700000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 57.057849223999995 g/mol | RDKit |
| Boiling Point | 66-67 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 57.10 g/mol; density = 0.810 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H7N.
