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N,N-Diethyl-1,3-Propanediamine
CAS: 104-78-9 | C7H18N2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
104-78-9
Molecular Formula:
C7H18N2
Molecular Mass:
130.24 g/mol
Names and Synonyms:
N,N-Diethyl-1,3-Propanediamine
1,3-Propanediamine, N1,N1-diethyl-
1,3-Propanediamine, N,N-diethyl-
N1,N1-Diethyl-1,3-propanediamine
1-Amino-3-(diethylamino)propane
N-(3-Diethylaminopropyl)amine
3-(Diethylamino)propylamine
Diethylaminotrimethylenamine
N,N-Diethyl-1,3-diaminopropane
N,N-Diethyl-1,3-propanediamine
3-Diethylamino-1-propylamine
3-(N,N-Diethylamino)-1-propylamine
γ-(Diethylamino)propylamine
N,N-Diethyltrimethylenediamine
N,N-Diethyl-1,3-propylenediamine
3-(Diethylamino)-n-propylamine
N-(Diethylaminopropyl)amine
3-(Diethylamino)propanamine
3-(N,N-Diethylamino)propylamine
NSC 7776
N-(3-Aminopropyl)-N,N-diethylamine
N1,N1-Diethylpropane-1,3-diamine
N-(3-Aminopropyl)diethylamine
(3-Diethylaminopropan-1-yl)amine
N,N-Ethylpropane-1,3-diamine
N-Aminopropyl-N,N-diethylamine
N1,N1-Diethylpropane-1,3-diamine
3-Diethylamino-1-propaneamine
Identifiers:
SMILES:
CCN(CC)CCCN
InChI:
InChI=1S/C7H18N2/c1-3-9(4-2)7-5-6-8/h3-8H2,1-2H3
Key Properties
Boiling Point
168.5 °C
CAS Common Chemistry
Density
0.83 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 | 130.24 g/mol | CAS Common Chemistry |
| 130.23499999999999 g/mol | RDKit | |
| 130.146998576 g/mol | RDKit | |
| Density | 0.83 g/cm³ | CAS Common Chemistry |
| 0.8283 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 168.5 °C | CAS Common Chemistry |
| Canonical SMILES | NCCCN(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C7H18N2/c1-3-9(4-2)7-5-6-8/h3-8H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QOHMWDJIBGVPIF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N-Diethyl-1,3-propanediamine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
| LogP | 0.6770000000000002 | RDKit |
| Molar Refractivity | 41.4594 | RDKit |
