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N,N,N′,N′-Tetramethylphosphorodiamidic Chloride
CAS: 1605-65-8 | C4H12ClN2OP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1605-65-8
Molecular Formula:
C4H12ClN2OP
Molecular Weight:
170.57999999999998 g/mol
Names and Synonyms:
N,N,N′,N′-Tetramethylphosphorodiamidic Chloride
N,N,N′,N′-Tetramethyldiamidophosphorochloridate
Tetramethylphosphorochloridic diamide
Tetramethylphosphorodiamidoyl chloride
Bis(dimethylamino)phosphoryl chloride
N,N,N′,N′-Tetramethylphosphorodiamidic chloride
NSC 30697
Bis(dimethylamino)chlorophosphine oxide
Phosphorodiamidic chloride, N,N,N′,N′-tetramethyl-
Bis(dimethylamino)phosphinyl chloride
Chlorobis(dimethylamino)phosphine oxide
Tetramethylphosphorodiamidic chloride
Bis(dimethylamino)phosphinic chloride
Tetramethyldiamidophosphoryl chloride
Bis(N,N-dimethylamino)phosphinic chloride
Phosphorodiamidic chloride, tetramethyl-
Identifiers:
SMILES:
CN(C)P(=O)(Cl)N(C)C
InChI:
InChI=1S/C4H12ClN2OP/c1-6(2)9(5,8)7(3)4/h1-4H3
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 170.57999999999998 g/mol | RDKit |
| Exact | Exact Molecular Weight | 170.037577314 g/mol | RDKit |
| Heavy | Heavy Atom Count | 9 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 2 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 23.550000000000004 Ų | RDKit |
| Physical Properties | LogP | 1.4565 | RDKit |
| molecular_mass | 170.58 g/mol | Legacy Database | |
| cas-boiling-point | 102 °C @ Press: 6 Torr | Legacy Database | |
| cas-canonical-smile | O=P(Cl)(N(C)C)N(C)C | Legacy Database | |
| cas-inchi | InChI=1S/C4H12ClN2OP/c1-6(2)9(5,8)7(3)4/h1-4H3 | Legacy Database | |
| cas-inchi-key | InChIKey=WYLQARGYFXBZMD-UHFFFAOYSA-N | Legacy Database | |
| cas-name | N,N,N′,N′-Tetramethylphosphorodiamidic chloride | Legacy Database | |
| Molar | Molar Refractivity | 40.833500000000015 | RDKit |
