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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 Mass:
296.16 g/mol
Names and Synonyms:
Hmx
1,3,5,7-Tetrazocine, octahydro-1,3,5,7-tetranitro-
Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine
Cyclotetramethylenetetranitramine
HMX
β-HMX
γ-Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetraazocine
Octogen
1,3,5,7-Tetranitro-1,3,5,7-tetraazacyclooctane
Tetramethylenetetranitramine
Octahydro-1,3,5,7-tetranitro-s-tetrazocine
Oktogen
LX 14-0
HW 4
Homocyclonite
1,3,5,7-Tetranitro-1,3,5,7-tetrazocane
HMX 2
PBXK-C 1203
IRX 21
SW 21
JO 9159
PBXN 9
PBXW 11
PBXC 121
PBXC 126
PBXC 129
ORA 86B
Rowanex 2000
PBXW 128
PBXN 110
PBXW 113
PBXN 101
PBXN 5
JO-X
Renowex 1001
Rowanex 3000
LX 14
Okfol
Oktoflen
Octagen
PBXN 112
EDC 24
PBXC 119
1,3,5,7-Tetranitroperhydro-1,3,5,7-tetrazocine
OF 8
JO 11C
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
Key Properties
Melting Point
278 °C
CAS Common Chemistry
Density
1.78 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 | 296.16 g/mol | CAS Common Chemistry |
| 296.15600000000006 g/mol | RDKit | |
| 296.04650921599995 g/mol | RDKit | |
| Density | 1.78 g/cm³ | CAS Common Chemistry |
| 1.78 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/HMX | CAS Common Chemistry |
| Canonical SMILES | O=N(=O)N1CN(N(=O)=O)CN(N(=O)=O)CN(N(=O)=O)C1 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=UZGLIIJVICEWHF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 278 °C | CAS Common Chemistry |
| Name | Octogen | CAS Common Chemistry |
| HMX | CAS Common Chemistry | |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 185.52 Ų | RDKit |
| LogP | -2.195199999999998 | RDKit |
| Molar Refractivity | 54.80160000000001 | RDKit |
