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Tripropylamine
CAS: 102-69-2 | C9H21N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
102-69-2
Molecular Formula:
C9H21N
Molecular Mass:
143.27 g/mol
Names and Synonyms:
Tripropylamine
1-Propanamine, N,N-dipropyl-
Tripropylamine
N,N-Dipropyl-1-propanamine
Tri-n-propylamine
Propyldi-n-propylamine
N,N,N-Tri-n-propylamine
Identifiers:
SMILES:
CCCN(CCC)CCC
InChI:
InChI=1S/C9H21N/c1-4-7-10(8-5-2)9-6-3/h4-9H2,1-3H3
Key Properties
Boiling Point
156 °C
CAS Common Chemistry
Melting Point
-93.5 °C
CAS Common Chemistry
Density
0.76 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 | 143.27 g/mol | CAS Common Chemistry |
| 143.27399999999997 g/mol | RDKit | |
| 143.167399672 g/mol | RDKit | |
| Density | 0.76 g/cm³ | CAS Common Chemistry |
| 0.7558 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 156 °C | CAS Common Chemistry |
| Canonical SMILES | N(CCC)(CCC)CCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H21N/c1-4-7-10(8-5-2)9-6-3/h4-9H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YFTHZRPMJXBUME-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -93.5 °C | CAS Common Chemistry |
| Name | Tripropylamine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 2.5184000000000006 | RDKit |
| Molar Refractivity | 47.313000000000024 | RDKit |
