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Molecule
Tripropylamine
CAS: 102-69-2 · C9H21N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 102-69-2
- Molecular Formula
- C9H21N
- Molecular Mass
- 143.27 g/mol
Identifiers
CAS Registry Number
102-69-2
SMILES
CCCN(CCC)CCC
InChI Key
YFTHZRPMJXBUME-UHFFFAOYSA-N
InChI
InChI=1S/C9H21N/c1-4-7-10(8-5-2)9-6-3/h4-9H2,1-3H3
Names and Synonyms
- Tripropylamine Common Name
- 1-Propanamine, N,N-dipropyl- Synonym
- Tripropylamine Synonym
- N,N-Dipropyl-1-propanamine Synonym
- Tri-n-propylamine Synonym
- Propyldi-n-propylamine Synonym
- N,N,N-Tri-n-propylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 143.27 g/mol | CAS Common Chemistry |
| 143.27399999999997 g/mol | RDKit | |
| 143.274 g/mol | RDKit | |
| Density | 0.76 g/cm³ | CAS Common Chemistry |
| 0.7558 g/cm3 @ 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 |
| 3.01 Ų | chempirical lib | |
| LogP | 2.5184000000000006 | RDKit |
| 2.5184 | RDKit | |
| Molar Refractivity | 47.313000000000024 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 143.167399672 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 143.27 g/mol; density = 0.760 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H21N.
