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Perfluorotributylamine
CAS: 311-89-7 | C12F27N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
311-89-7
Molecular Formula:
C12F27N
Molecular Mass:
671.09 g/mol
Names and Synonyms:
Perfluorotributylamine
1-Butanamine, 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-
Tributylamine, heptacosafluoro-
1-Butanamine, 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(nonafluorobutyl)-
1,1,2,2,3,3,4,4,4-Nonafluoro-N,N-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1-butanamine
FC 43
Tri(perfluorobutyl)amine
Heptacosafluorotributylamine
Fluorocarbon FC 43
Tris(nonafluorobutyl)amine
FC 47
Perfluorotri-n-butylamine
Fluorinert FC 43
Medifluor FC 47
Mediflor FC 43
Tris(perfluorobutyl)amine
Fluosol FC 43
Eftop EF-L 174
Oxyferol
PFTBA
Afluid E 18
Perfluorotributylamine
Fluorinert 43
NSC 3501
EFL 174S
Tri (n-butyl perfluoro)
CT-solv 180
Flourinert FC 40
Identifiers:
SMILES:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI:
InChI=1S/C12F27N/c13-1(14,7(25,26)27)4(19,20)10(34,35)40(11(36,37)5(21,22)2(15,16)8(28,29)30)12(38,39)6(23,24)3(17,18)9(31,32)33
Key Properties
Boiling Point
178 °C
CAS Common Chemistry
Melting Point
-50 °C
CAS Common Chemistry
Density
1.88 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 | 671.09 g/mol | CAS Common Chemistry |
| 671.0850000000003 g/mol | RDKit | |
| 670.95996094 g/mol | RDKit | |
| Density | 1.88 g/cm³ | CAS Common Chemistry |
| 1.884 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Perfluorotributylamine | CAS Common Chemistry |
| Boiling Point | 178 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C12F27N/c13-1(14,7(25,26)27)4(19,20)10(34,35)40(11(36,37)5(21,22)2(15,16)8(28,29)30)12(38,39)6(23,24)3(17,18)9(31,32)33 | CAS Common Chemistry |
| InChI Key | InChIKey=RVZRBWKZFJCCIB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -50 °C | CAS Common Chemistry |
| Name | Perfluorotributylamine | CAS Common Chemistry |
| Heavy Atom Count | 40 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 8.565500000000004 | RDKit |
| Molar Refractivity | 64.52699999999997 | RDKit |
