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3-(Diethylamino)Propanamide
CAS: 3813-27-2 | C7H16N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3813-27-2
Molecular Formula:
C7H16N2O
Molecular Mass:
144.22 g/mol
Names and Synonyms:
3-(Diethylamino)Propanamide
Propanamide, 3-(diethylamino)-
Propionamide, 3-(diethylamino)-
3-(Diethylamino)propanamide
3-(Diethylamino)propionamide
Identifiers:
SMILES:
CCN(CC)CCC(=N)O
InChI:
InChI=1S/C7H16N2O/c1-3-9(4-2)6-5-7(8)10/h3-6H2,1-2H3,(H2,8,10)
Key Properties
Boiling Point
154-157 °C @ Press: 8 Torr
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 | 144.22 g/mol | CAS Common Chemistry |
| 144.21800000000002 g/mol | RDKit | |
| 144.126263132 g/mol | RDKit | |
| Boiling Point | 154-157 °C @ Press: 8 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(N)CCN(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C7H16N2O/c1-3-9(4-2)6-5-7(8)10/h3-6H2,1-2H3,(H2,8,10) | CAS Common Chemistry |
| InChI Key | InChIKey=KTUOJDXAHZOFCA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-(Diethylamino)propanamide | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 47.32000000000001 Ų | RDKit |
| LogP | 1.25357 | RDKit |
| Molar Refractivity | 42.7605 | RDKit |
