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Ethylamine
CAS: 75-04-7 | C2H7N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
75-04-7
Molecular Formula:
C2H7N
Molecular Weight:
45.084999999999994 g/mol
Names and Synonyms:
Ethylamine
Common Name
R 631
Synonym
1-Aminoethane
Synonym
n-Ethylamine
Synonym
Monoethylamine
Synonym
Aminoethane
Synonym
Ethylamine
Synonym
Ethanamine
Synonym
Identifiers:
SMILES:
CCN
InChI:
InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 | 45.08 g/mol | Legacy Database |
| density | 0.69 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Ethylamine None | Legacy Database |
| cas-boiling-point | 16.6 °C None | Legacy Database |
| cas-canonical-smile | NCC None | Legacy Database |
| cas-density | 0.689 g/cm3 @ Temp: 15 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=QUSNBJAOOMFDIB-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -81 °C None | Legacy Database |
| cas-name | Ethylamine None | Legacy Database |
| wikipedia-name | Ethylamine None | Legacy Database |
| LogP | -0.03499999999999981 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 45.084999999999994 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 45.057849223999995 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 | 26.02 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 14.728400000000002 | RDKit |