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Hexaethylphosphorous Triamide
CAS: 2283-11-6 | C12H30N3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2283-11-6
Molecular Formula:
C12H30N3P
Molecular Mass:
247.37 g/mol
Names and Synonyms:
Hexaethylphosphorous Triamide
Phosphorous triamide, N,N,N′,N′,N′′,N′′-hexaethyl-
Phosphorous triamide, hexaethyl-
N,N,N′,N′,N′′,N′′-Hexaethylphosphorous triamide
Tris(diethylamino)phosphine
Hexaethylphosphorous triamide
Hexaethyltriaminophosphine
Phosphorous acid tris(diethylamide)
Tris(N,N-diethylamino)phosphine
Hexaethyltriamidophosphite
Tris(diethylamido)phosphine
Identifiers:
SMILES:
CCN(CC)P(N(CC)CC)N(CC)CC
InChI:
InChI=1S/C12H30N3P/c1-7-13(8-2)16(14(9-3)10-4)15(11-5)12-6/h7-12H2,1-6H3
Key Properties
Boiling Point
120-122 °C @ Press: 10 Torr
CAS Common Chemistry
Melting Point
230-232 °C
CAS Common Chemistry
Density
0.91 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 | 247.37 g/mol | CAS Common Chemistry |
| 247.36699999999996 g/mol | RDKit | |
| 247.21773459 g/mol | RDKit | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.906 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 120-122 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | N(P(N(CC)CC)N(CC)CC)(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C12H30N3P/c1-7-13(8-2)16(14(9-3)10-4)15(11-5)12-6/h7-12H2,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FDIOSTIIZGWENY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 230-232 °C | CAS Common Chemistry |
| Name | Hexaethylphosphorous triamide | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.72 Ų | RDKit |
| LogP | 3.2387000000000024 | RDKit |
| Molar Refractivity | 75.68300000000006 | RDKit |
