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Dinitrosopentamethylenetetramine
CAS: 101-25-7 | C5H10N6O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
101-25-7
Molecular Formula:
C5H10N6O2
Molecular Weight:
186.17499999999998 g/mol
Names and Synonyms:
Dinitrosopentamethylenetetramine
Cellular Z-K
3,7-Dinitroso-1,3,5,7-tetrabicyclo[3.3.1]nonane
GP 9
Unicell GP 9
Porex F
Kempore N 90
DNPMT
Cellmic A
Chempor PC 65
Unicel 100
Opex 93
Vulcacel BN
Pentamethylenetetramine, dinitroso-
Aceto DNPT 100
Aceto DNPT 80
1,3,5,7-Tetraazabicyclo[3.3.1]nonane, 3,7-dinitroso-
KZ 110
Foamer H
Foaming Agent H
Cellular GX-N
PTs 55
NSC 73599
Cellular C
1,5-Methano-3,7-dinitroso-1,3,5,7-tetraazacyclooctane
Cellular GX
Cellmic AN
DNO/F
1,5-Endomethylene-3,7-dinitroso-1,3,5,7-tetraazacyclooctane
PU 55
Vulcacel BN 94
Porofor DNO/F
1,5-Methylene-3,7-dinitroso-1,3,5,7-tetraazacyclooctane
ChKhZ 18
Unicel NDX
Unicel ND
DNPT
Dinitrosopentamethylenetetramine
Aceto DNPT 40
Blowing Agent H
DPT
Cellular L 85
Chempor PC 55
Cellular D
Cellmic A 80
Chempor N 90
Dipentax
Micropor
Di-N-Nitrosopentamethylenetetramine
N,N-Dinitrosopentamethylenetetramine
N,N′-Dinitrosopentamethylenetetramine
3,7-Di-N-nitroso(pentamethylene)tetramine
3,7-Dinitroso-1,3,5,7-tetraazabicyclo[3.3.1]nonane
Cellular L 70
N1,N3-Dinitrosopentamethylenetetramine
Dinitrosopentamethenetetramine
Mikrofor N
Vulcacel B 40
Opex
Identifiers:
SMILES:
O=NN1CN2CN(C1)CN(N=O)C2
InChI:
InChI=1S/C5H10N6O2/c12-6-10-2-8-1-9(4-10)5-11(3-8)7-13/h1-5H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 186.18 g/mol | Legacy Database |
| cas-canonical-smile | O=NN1CN2CN(N=O)CN(C1)C2 None | Legacy Database |
| cas-inchi | InChI=1S/C5H10N6O2/c12-6-10-2-8-1-9(4-10)5-11(3-8)7-13/h1-5H2 None | Legacy Database |
| cas-inchi-key | InChIKey=MWRWFPQBGSZWNV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 100.7 °C None | Legacy Database |
| cas-name | Dinitrosopentamethylenetetramine None | Legacy Database |
| LogP | -0.6280999999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 186.17499999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 186.08652356 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 13 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 71.82000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 43.28100000000002 | RDKit |
