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Molecule
Perfluorotripropylamine
CAS: 338-83-0 · C9F21N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 338-83-0
- Molecular Formula
- C9F21N
- Molecular Mass
- 521.06 g/mol
Identifiers
CAS Registry Number
338-83-0
SMILES
FC(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChI Key
JAJLKEVKNDUJBG-UHFFFAOYSA-N
InChI
InChI=1S/C9F21N/c10-1(11,4(16,17)18)7(25,26)31(8(27,28)2(12,13)5(19,20)21)9(29,30)3(14,15)6(22,23)24
Names and Synonyms
- Perfluorotripropylamine Synonym
- 1-Propanamine, 1,1,2,2,3,3,3-heptafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)- Synonym
- Tripropylamine, heneicosafluoro- Synonym
- 1-Propanamine, 1,1,2,2,3,3,3-heptafluoro-N,N-bis(heptafluoropropyl)- Synonym
- 1,1,2,2,3,3,3-Heptafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1-propanamine Synonym
- Perfluorotripropylamine Synonym
- FTPA Synonym
- Tri(perfluoropropyl)amine Synonym
- Perfluamine Synonym
- Tris(perfluoropropyl)amine Synonym
- Tris(heptafluoropropyl)amine Synonym
- Tri (perfluoro n-propyl) amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 521.06 g/mol | CAS Common Chemistry |
| 521.064 g/mol | RDKit | |
| Density | 1.82 g/cm³ | CAS Common Chemistry |
| 1.822 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Boiling Point | 130 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C9F21N/c10-1(11,4(16,17)18)7(25,26)31(8(27,28)2(12,13)5(19,20)21)9(29,30)3(14,15)6(22,23)24 | CAS Common Chemistry |
| InChI Key | InChIKey=JAJLKEVKNDUJBG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -52 °C | CAS Common Chemistry |
| Name | Perfluorotripropylamine | CAS Common Chemistry |
| Heavy Atom Count | 31 | 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 | 6.659600000000003 | RDKit |
| 6.6596 | RDKit | |
| Molar Refractivity | 49.685999999999986 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 520.96954162 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
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MW = 521.06 g/mol; density = 1.820 g/mL. Edit any field — others recompute live.
