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Molecule
Hexamethylphosphoramide
CAS: 680-31-9 · C6H18N3OP
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 680-31-9
- Molecular Formula
- C6H18N3OP
- Molecular Mass
- 179.20 g/mol
Identifiers
CAS Registry Number
680-31-9
SMILES
CN(C)P(=O)(N(C)C)N(C)C
InChI Key
GNOIPBMMFNIUFM-UHFFFAOYSA-N
InChI
InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3
Names and Synonyms
- Hexamethylphosphoramide Common Name
- Phosphoric triamide, N,N,N′,N′,N′′,N′′-hexamethyl- Synonym
- Phosphoric triamide, hexamethyl- Synonym
- N,N,N′,N′,N′′,N′′-Hexamethylphosphoric triamide Synonym
- ENT 50,882 Synonym
- Hempa Synonym
- Hexametapol Synonym
- Hexamethylphosphoramide Synonym
- Hexamethylphosphoric acid triamide Synonym
- Hexamethylphosphoric triamide Synonym
- Hexamethylphosphorotriamide Synonym
- HPT Synonym
- Phosphoric tris(dimethylamide) Synonym
- Phosphoryl hexamethyltriamide Synonym
- Tris(dimethylamino)phosphine oxide Synonym
- Hexamethylorthophosphoric triamide Synonym
- HMPA Synonym
- Phosphoric hexamethyltriamide Synonym
- Phosphoric acid hexamethyltriamide Synonym
- N,N′,N′′-Hexamethylphosphoramide Synonym
- Eastman Inhibitor HPT Synonym
- HMPTA Synonym
- HMPT Synonym
- Hexamethyltriamidophosphate Synonym
- NSC 113131 Synonym
- NSC 7967 Synonym
- Light Stabilizer HPT Synonym
- [Bis(dimethylamino)phosphoryl]dimethylamine Synonym
- Hexamethylphosporic triamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | O=P(N(C)C)(N(C)C)N(C)C | CAS Common Chemistry |
| Molecular Mass | 179.20 g/mol | CAS Common Chemistry |
| 179.204 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.03 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Hexamethylphosphoramide | CAS Common Chemistry |
| InChI | InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GNOIPBMMFNIUFM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 5-7 °C | CAS Common Chemistry |
| Name | Hexamethylphosphoramide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.790000000000006 Ų | RDKit |
| 26.79 Ų | RDKit | |
| LogP | 0.7792999999999999 | RDKit |
| 0.7793 | RDKit | |
| Molar Refractivity | 48.66750000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 179.118748826 g/mol | RDKit |
| Boiling Point | 233 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
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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 = 179.20 g/mol; density = 1.030 g/mL. Edit any field — others recompute live.
