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Molecule
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
Identifiers
CAS Registry Number
152-16-9
SMILES
CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C
InChI Key
SZKKRCSOSQAJDE-UHFFFAOYSA-N
InChI
InChI=1S/C8H24N4O3P2/c1-9(2)16(13,10(3)4)15-17(14,11(5)6)12(7)8/h1-8H3
Names and Synonyms
- Schradan Synonym
- Diphosphoramide, N,N,N′,N′,N′′,N′′,N′′′,N′′′-octamethyl- Synonym
- Pyrophosphoramide, octamethyl- Synonym
- Diphosphoramide, octamethyl- Synonym
- N,N,N′,N′,N′′,N′′,N′′′,N′′′-Octamethyldiphosphoramide Synonym
- Bis(dimethylamino)phosphonous anhydride Synonym
- Octamethylpyrophosphoramide Synonym
- Pestox 3 Synonym
- Schradan Synonym
- Sytam Synonym
- Tetrakisdimethylaminophosphonous anhydride Synonym
- Pestox III Synonym
- Pestox Synonym
- OMPA Synonym
- Octamethyl Synonym
- Octamethylpyrophosphoric acid tetramide Synonym
- Octamethylpyrophosphoric acid amide Synonym
- NSC 8929 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 286.25 g/mol | CAS Common Chemistry |
| 286.25300000000004 g/mol | RDKit | |
| 286.253 g/mol | RDKit | |
| Density | 1.13 g/cm³ | CAS Common Chemistry |
| 1.1343 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Schradan | 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 |
| 56.33 Ų | RDKit | |
| LogP | 1.4655999999999998 | RDKit |
| 1.4656 | RDKit | |
| Molar Refractivity | 71.04600000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 286.132363888 g/mol | RDKit |
| Boiling Point | 120-125 °C @ 0.5 Torr | CAS Common Chemistry |
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.
External Resources
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MW = 286.25 g/mol; density = 1.130 g/mL. Edit any field — others recompute live.
