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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 Mass:
101.19 g/mol
Names and Synonyms:
Dipropylamine
1-Propanamine, N-propyl-
Dipropylamine
N-Propyl-1-propanamine
Di-n-propylamine
n-Dipropylamine
Dipropanamine
N,N-Dipropylamine
N,N-Di(n-propyl)amine
Identifiers:
SMILES:
CCCNCCC
InChI:
InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3
Key Properties
Boiling Point
109.3 °C
CAS Common Chemistry
Melting Point
-63 °C
CAS Common Chemistry
Density
0.74 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 | 101.19 g/mol | CAS Common Chemistry |
| 101.193 g/mol | RDKit | |
| 101.12044947999999 g/mol | RDKit | |
| Density | 0.74 g/cm³ | CAS Common Chemistry |
| 0.738 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dipropylamine | CAS Common Chemistry |
| Boiling Point | 109.3 °C | CAS Common Chemistry |
| Canonical SMILES | N(CCC)CCC | CAS Common Chemistry |
| InChI | InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WEHWNAOGRSTTBQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -63 °C | CAS Common Chemistry |
| Name | Dipropylamine | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 1.396 | RDKit |
| Molar Refractivity | 33.45169999999999 | RDKit |
