Back to Search
N-Ethyl-2-Propanamine
CAS: 19961-27-4 | C5H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19961-27-4
Molecular Formula:
C5H13N
Molecular Mass:
87.17 g/mol
Names and Synonyms:
N-Ethyl-2-Propanamine
2-Propanamine, N-ethyl-
Diethylamine, 1-methyl-
N-Ethyl-2-propanamine
N-Ethylisopropylamine
Ethylisopropylamine
Isopropylethylamine
2-(Ethylamino)propane
N-Ethyl-N-isopropylamine
NSC 165659
(Ethyl)(1-methylethyl)amine
Identifiers:
SMILES:
CCNC(C)C
InChI:
InChI=1S/C5H13N/c1-4-6-5(2)3/h5-6H,4H2,1-3H3
Key Properties
Boiling Point
69.6 °C
CAS Common Chemistry
Density
0.71 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 | 87.17 g/mol | CAS Common Chemistry |
| 87.166 g/mol | RDKit | |
| 87.10479941599999 g/mol | RDKit | |
| Density | 0.71 g/cm³ | CAS Common Chemistry |
| 0.71 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 69.6 °C | CAS Common Chemistry |
| Canonical SMILES | N(CC)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H13N/c1-4-6-5(2)3/h5-6H,4H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RIVIDPPYRINTTH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Ethyl-2-propanamine | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 1.0043 | RDKit |
| Molar Refractivity | 28.812699999999985 | RDKit |
