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Schradan
CAS: 152-16-9 | C8H24N4O3P2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
152-16-9
Molecular Formula:
C8H24N4O3P2
Molecular Mass:
286.25 g/mol
Names and Synonyms:
Schradan
Diphosphoramide, N,N,N′,N′,N′′,N′′,N′′′,N′′′-octamethyl-
Pyrophosphoramide, octamethyl-
Diphosphoramide, octamethyl-
N,N,N′,N′,N′′,N′′,N′′′,N′′′-Octamethyldiphosphoramide
Bis(dimethylamino)phosphonous anhydride
Octamethylpyrophosphoramide
Pestox 3
Schradan
Sytam
Tetrakisdimethylaminophosphonous anhydride
Pestox III
Pestox
OMPA
Octamethyl
Octamethylpyrophosphoric acid tetramide
Octamethylpyrophosphoric acid amide
NSC 8929
Identifiers:
SMILES:
CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C
InChI:
InChI=1S/C8H24N4O3P2/c1-9(2)16(13,10(3)4)15-17(14,11(5)6)12(7)8/h1-8H3
Key Properties
Boiling Point
120-125 °C @ Press: 0.5 Torr
CAS Common Chemistry
Melting Point
17 °C
CAS Common Chemistry
Density
1.13 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 | 286.25 g/mol | CAS Common Chemistry |
| 286.25300000000004 g/mol | RDKit | |
| 286.132363888 g/mol | RDKit | |
| Density | 1.13 g/cm³ | CAS Common Chemistry |
| 1.1343 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Schradan | CAS Common Chemistry |
| Boiling Point | 120-125 °C @ Press: 0.5 Torr | CAS Common Chemistry |
| Canonical SMILES | O=P(OP(=O)(N(C)C)N(C)C)(N(C)C)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H24N4O3P2/c1-9(2)16(13,10(3)4)15-17(14,11(5)6)12(7)8/h1-8H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SZKKRCSOSQAJDE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 17 °C | CAS Common Chemistry |
| Name | Octamethyl | CAS Common Chemistry |
| Schradan | CAS Common Chemistry | |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 56.330000000000005 Ų | RDKit |
| LogP | 1.4655999999999998 | RDKit |
| Molar Refractivity | 71.04600000000005 | RDKit |
