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Molecule
Ethylpropylamine
CAS: 20193-20-8 · C5H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 20193-20-8
- Molecular Formula
- C5H13N
- Molecular Mass
- 87.17 g/mol
Identifiers
CAS Registry Number
20193-20-8
SMILES
CCCNCC
InChI Key
XCVNDBIXFPGMIW-UHFFFAOYSA-N
InChI
InChI=1S/C5H13N/c1-3-5-6-4-2/h6H,3-5H2,1-2H3
Names and Synonyms
- Ethylpropylamine Synonym
- 1-Propanamine, N-ethyl- Synonym
- Propylamine, N-ethyl- Synonym
- N-Ethyl-1-propanamine Synonym
- N-Ethyl-n-propylamine Synonym
- Ethylpropylamine Synonym
- N-Ethylpropylamine Synonym
- N-Ethylpropanamine Synonym
- N-Propyl-N-ethylamine Synonym
- Propylethylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 87.17 g/mol | CAS Common Chemistry |
| 87.166 g/mol | RDKit | |
| Density | 0.73 g/cm³ | CAS Common Chemistry |
| 0.7318 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 81 °C | CAS Common Chemistry |
| Canonical SMILES | N(CC)CCC | CAS Common Chemistry |
| InChI | InChI=1S/C5H13N/c1-3-5-6-4-2/h6H,3-5H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XCVNDBIXFPGMIW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 78 °C | CAS Common Chemistry |
| Name | Ethylpropylamine | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 1.0059 | RDKit |
| Molar Refractivity | 28.834699999999987 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 87.10479941599999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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 = 87.17 g/mol; density = 0.730 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H13N.
