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Hexamethylphosphoramide
CAS: 680-31-9 | C6H18N3OP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
680-31-9
Molecular Formula:
C6H18N3OP
Molecular Mass:
179.20 g/mol
Names and Synonyms:
Hexamethylphosphoramide
Phosphoric triamide, N,N,N′,N′,N′′,N′′-hexamethyl-
Phosphoric triamide, hexamethyl-
N,N,N′,N′,N′′,N′′-Hexamethylphosphoric triamide
ENT 50,882
Hempa
Hexametapol
Hexamethylphosphoramide
Hexamethylphosphoric acid triamide
Hexamethylphosphoric triamide
Hexamethylphosphorotriamide
HPT
Phosphoric tris(dimethylamide)
Phosphoryl hexamethyltriamide
Tris(dimethylamino)phosphine oxide
Hexamethylorthophosphoric triamide
HMPA
Phosphoric hexamethyltriamide
Phosphoric acid hexamethyltriamide
N,N′,N′′-Hexamethylphosphoramide
Eastman Inhibitor HPT
HMPTA
HMPT
Hexamethyltriamidophosphate
NSC 113131
NSC 7967
Light Stabilizer HPT
[Bis(dimethylamino)phosphoryl]dimethylamine
Hexamethylphosporic triamide
Identifiers:
SMILES:
CN(C)P(=O)(N(C)C)N(C)C
InChI:
InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3
Key Properties
Boiling Point
233 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
5-7 °C
CAS Common Chemistry
Density
1.03 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 | 179.20 g/mol | CAS Common Chemistry |
| 179.204 g/mol | RDKit | |
| 179.118748826 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.03 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Hexamethylphosphoramide | CAS Common Chemistry |
| Boiling Point | 233 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | O=P(N(C)C)(N(C)C)N(C)C | 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 |
| LogP | 0.7792999999999999 | RDKit |
| Molar Refractivity | 48.66750000000003 | RDKit |
