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Molecule
N,N,N′,N′-Tetramethylphosphorodiamidic Chloride
CAS: 1605-65-8 · C4H12ClN2OP
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1605-65-8
- Molecular Formula
- C4H12ClN2OP
- Molecular Mass
- 170.58 g/mol
Identifiers
CAS Registry Number
1605-65-8
SMILES
CN(C)P(=O)(Cl)N(C)C
InChI Key
WYLQARGYFXBZMD-UHFFFAOYSA-N
InChI
InChI=1S/C4H12ClN2OP/c1-6(2)9(5,8)7(3)4/h1-4H3
Names and Synonyms
- N,N,N′,N′-Tetramethylphosphorodiamidic Chloride Systematic Name
- Phosphorodiamidic chloride, N,N,N′,N′-tetramethyl- Synonym
- Phosphorodiamidic chloride, tetramethyl- Synonym
- N,N,N′,N′-Tetramethylphosphorodiamidic chloride Synonym
- Bis(N,N-dimethylamino)phosphinic chloride Synonym
- Tetramethylphosphorodiamidic chloride Synonym
- Bis(dimethylamino)phosphoryl chloride Synonym
- Bis(dimethylamino)chlorophosphine oxide Synonym
- Tetramethylphosphorodiamidoyl chloride Synonym
- Tetramethyldiamidophosphoryl chloride Synonym
- Bis(dimethylamino)phosphinic chloride Synonym
- Tetramethylphosphorochloridic diamide Synonym
- Chlorobis(dimethylamino)phosphine oxide Synonym
- Bis(dimethylamino)phosphinyl chloride Synonym
- N,N,N′,N′-Tetramethyldiamidophosphorochloridate Synonym
- NSC 30697 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 170.58 g/mol | CAS Common Chemistry |
| 170.57999999999998 g/mol | RDKit | |
| 170.577 g/mol | chempirical lib | |
| Canonical SMILES | O=P(Cl)(N(C)C)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H12ClN2OP/c1-6(2)9(5,8)7(3)4/h1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WYLQARGYFXBZMD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N,N′,N′-Tetramethylphosphorodiamidic chloride | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.550000000000004 Ų | RDKit |
| 23.55 Ų | RDKit | |
| LogP | 1.4565 | RDKit |
| Molar Refractivity | 40.833500000000015 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 170.037577314 g/mol | RDKit |
| Boiling Point | 102 °C @ 6 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 170.58 g/mol. Edit any field — others recompute live.
