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Deuterium
CAS: 7782-39-0 | H2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7782-39-0
Molecular Formula:
H2
Molecular Mass:
4.03 g/mol
Names and Synonyms:
Deuterium
Deuterium
Diplogen
Hydrogen-2
Deuterium molecule
Hydrogen, isotope of mass 2
Hydrogen-d2
Deuterium (D2)
Dideuterium
Deuterium mol.
2H
Identifiers:
SMILES:
[2H][2H]
InChI:
InChI=1S/H2/h1H/i1+1D
Key Properties
Boiling Point
-249.49 °C
CAS Common Chemistry
Density
0.21 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 | 4.03 g/mol | CAS Common Chemistry |
| 4.028203556 g/mol | RDKit | |
| Density | 0.21 g/cm³ | CAS Common Chemistry |
| 0.2059 g/cm3 @ Temp: -269.0 °C | CAS Common Chemistry | |
| Boiling Point | -249.49 °C | CAS Common Chemistry |
| Canonical SMILES | [H][H] | CAS Common Chemistry |
| InChI | InChI=1S/H2/h1H/i1+1D | CAS Common Chemistry |
| InChI Key | InChIKey=UFHFLCQGNIYNRP-VVKOMZTBSA-N | CAS Common Chemistry |
| Name | Deuterium | CAS Common Chemistry |
| Heavy Atom Count | 0 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 0.246 | RDKit |
| Molar Refractivity | 2.114 | RDKit |
