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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 Mass:
186.18 g/mol
Names and Synonyms:
Dinitrosopentamethylenetetramine
1,3,5,7-Tetraazabicyclo[3.3.1]nonane, 3,7-dinitroso-
3,7-Dinitroso-1,3,5,7-tetraazabicyclo[3.3.1]nonane
Aceto DNPT 40
Aceto DNPT 80
Aceto DNPT 100
3,7-Di-N-nitroso(pentamethylene)tetramine
Dinitrosopentamethylenetetramine
DNPT
Opex
Pentamethylenetetramine, dinitroso-
Unicel ND
Unicel NDX
Vulcacel B 40
Vulcacel BN
N,N′-Dinitrosopentamethylenetetramine
Mikrofor N
ChKhZ 18
N,N-Dinitrosopentamethylenetetramine
Dinitrosopentamethenetetramine
Di-N-Nitrosopentamethylenetetramine
1,5-Methylene-3,7-dinitroso-1,3,5,7-tetraazacyclooctane
N1,N3-Dinitrosopentamethylenetetramine
Micropor
Dipentax
Porofor DNO/F
Opex 93
Unicel 100
Chempor N 90
Chempor PC 65
Vulcacel BN 94
Cellmic A 80
Cellmic A
DNPMT
PU 55
Kempore N 90
1,5-Endomethylene-3,7-dinitroso-1,3,5,7-tetraazacyclooctane
Cellular D
DNO/F
Cellmic AN
Cellular GX
Chempor PC 55
1,5-Methano-3,7-dinitroso-1,3,5,7-tetraazacyclooctane
Porex F
Cellular C
Unicell GP 9
GP 9
NSC 73599
Cellular L 85
3,7-Dinitroso-1,3,5,7-tetrabicyclo[3.3.1]nonane
PTs 55
Cellular L 70
Cellular GX-N
DPT
Foaming Agent H
Foamer H
Cellular Z-K
Blowing Agent H
KZ 110
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
Key Properties
Melting Point
100.7 °C
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 | 186.18 g/mol | CAS Common Chemistry |
| 186.17499999999998 g/mol | RDKit | |
| 186.08652356 g/mol | RDKit | |
| Canonical SMILES | O=NN1CN2CN(N=O)CN(C1)C2 | CAS Common Chemistry |
| InChI | InChI=1S/C5H10N6O2/c12-6-10-2-8-1-9(4-10)5-11(3-8)7-13/h1-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MWRWFPQBGSZWNV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 100.7 °C | CAS Common Chemistry |
| Name | Dinitrosopentamethylenetetramine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 71.82000000000001 Ų | RDKit |
| LogP | -0.6280999999999999 | RDKit |
| Molar Refractivity | 43.28100000000002 | RDKit |
