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Dipropylamine
CAS: 142-84-7 | C6H15N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
142-84-7
Molecular Formula:
C6H15N
Molecular Weight:
101.193 g/mol
Names and Synonyms:
Dipropylamine
N,N-Di(n-propyl)amine
N,N-Dipropylamine
Dipropanamine
n-Dipropylamine
Di-n-propylamine
N-Propyl-1-propanamine
Dipropylamine
1-Propanamine, N-propyl-
Identifiers:
SMILES:
CCCNCCC
InChI:
InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 101.19 g/mol | Legacy Database |
| density | 0.74 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Dipropylamine None | Legacy Database |
| cas-boiling-point | 109.3 °C None | Legacy Database |
| cas-canonical-smile | N(CCC)CCC None | Legacy Database |
| cas-density | 0.738 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=WEHWNAOGRSTTBQ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -63 °C None | Legacy Database |
| cas-name | Dipropylamine None | Legacy Database |
| wikipedia-name | Dipropylamine None | Legacy Database |
| LogP | 1.396 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 101.193 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 101.12044947999999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 12.03 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 33.45169999999999 | RDKit |
