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Hmx
CAS: 2691-41-0 | C4H8N8O8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2691-41-0
Molecular Formula:
C4H8N8O8
Molecular Weight:
296.15600000000006 g/mol
Names and Synonyms:
Hmx
JO 11C
OF 8
1,3,5,7-Tetranitroperhydro-1,3,5,7-tetrazocine
PBXC 119
EDC 24
PBXN 112
Octagen
Oktoflen
Okfol
LX 14
Rowanex 3000
Renowex 1001
JO-X
PBXN 5
PBXN 101
PBXW 113
PBXN 110
PBXW 128
Rowanex 2000
ORA 86B
PBXC 129
PBXC 126
PBXC 121
PBXW 11
PBXN 9
JO 9159
SW 21
IRX 21
PBXK-C 1203
HMX 2
1,3,5,7-Tetranitro-1,3,5,7-tetrazocane
Homocyclonite
HW 4
LX 14-0
Oktogen
Octahydro-1,3,5,7-tetranitro-s-tetrazocine
Tetramethylenetetranitramine
1,3,5,7-Tetranitro-1,3,5,7-tetraazacyclooctane
Octogen
γ-Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetraazocine
β-HMX
HMX
Cyclotetramethylenetetranitramine
Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine
1,3,5,7-Tetrazocine, octahydro-1,3,5,7-tetranitro-
Identifiers:
SMILES:
O=[N+]([O-])N1CN([N+](=O)[O-])CN([N+](=O)[O-])CN([N+](=O)[O-])C1
InChI:
InChI=1S/C4H8N8O8/c13-9(14)5-1-6(10(15)16)3-8(12(19)20)4-7(2-5)11(17)18/h1-4H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 296.15600000000006 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 296.04650921599995 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 20 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 8 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 185.52 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -2.195199999999998 | RDKit |
| molecular_mass | 296.16 g/mol | Legacy Database |
| density | 1.78 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/HMX None | Legacy Database |
| cas-canonical-smile | O=N(=O)N1CN(N(=O)=O)CN(N(=O)=O)CN(N(=O)=O)C1 None | Legacy Database |
| cas-density | 1.78 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C4H8N8O8/c13-9(14)5-1-6(10(15)16)3-8(12(19)20)4-7(2-5)11(17)18/h1-4H2 None | Legacy Database |
| cas-inchi-key | InChIKey=UZGLIIJVICEWHF-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 278 °C None | Legacy Database |
| cas-name | Octogen None | Legacy Database |
| wikipedia-name | HMX None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 54.80160000000001 | RDKit |
