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Molecule
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
Identifiers
CAS Registry Number
101-25-7
SMILES
O=NN1CN2CN(C1)CN(N=O)C2
InChI Key
MWRWFPQBGSZWNV-UHFFFAOYSA-N
InChI
InChI=1S/C5H10N6O2/c12-6-10-2-8-1-9(4-10)5-11(3-8)7-13/h1-5H2
Names and Synonyms
- Dinitrosopentamethylenetetramine Common Name
- 1,3,5,7-Tetraazabicyclo[3.3.1]nonane, 3,7-dinitroso- Synonym
- 3,7-Dinitroso-1,3,5,7-tetraazabicyclo[3.3.1]nonane Synonym
- Aceto DNPT 40 Synonym
- Aceto DNPT 80 Synonym
- Aceto DNPT 100 Synonym
- 3,7-Di-N-nitroso(pentamethylene)tetramine Synonym
- Dinitrosopentamethylenetetramine Synonym
- DNPT Synonym
- Opex Synonym
- Pentamethylenetetramine, dinitroso- Synonym
- Unicel ND Synonym
- Unicel NDX Synonym
- Vulcacel B 40 Synonym
- Vulcacel BN Synonym
- N,N′-Dinitrosopentamethylenetetramine Synonym
- Mikrofor N Synonym
- ChKhZ 18 Synonym
- N,N-Dinitrosopentamethylenetetramine Synonym
- Dinitrosopentamethenetetramine Synonym
- Di-N-Nitrosopentamethylenetetramine Synonym
- 1,5-Methylene-3,7-dinitroso-1,3,5,7-tetraazacyclooctane Synonym
- N1,N3-Dinitrosopentamethylenetetramine Synonym
- Micropor Synonym
- Dipentax Synonym
- Porofor DNO/F Synonym
- Opex 93 Synonym
- Unicel 100 Synonym
- Chempor N 90 Synonym
- Chempor PC 65 Synonym
- Vulcacel BN 94 Synonym
- Cellmic A 80 Synonym
- Cellmic A Synonym
- DNPMT Synonym
- PU 55 Synonym
- Kempore N 90 Synonym
- 1,5-Endomethylene-3,7-dinitroso-1,3,5,7-tetraazacyclooctane Synonym
- Cellular D Synonym
- DNO/F Synonym
- Cellmic AN Synonym
- Cellular GX Synonym
- Chempor PC 55 Synonym
- 1,5-Methano-3,7-dinitroso-1,3,5,7-tetraazacyclooctane Synonym
- Porex F Synonym
- Cellular C Synonym
- Unicell GP 9 Synonym
- GP 9 Synonym
- NSC 73599 Synonym
- Cellular L 85 Synonym
- 3,7-Dinitroso-1,3,5,7-tetrabicyclo[3.3.1]nonane Synonym
- PTs 55 Synonym
- Cellular L 70 Synonym
- Cellular GX-N Synonym
- DPT Synonym
- Foaming Agent H Synonym
- Foamer H Synonym
- Cellular Z-K Synonym
- Blowing Agent H Synonym
- KZ 110 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 186.18 g/mol | CAS Common Chemistry |
| 186.17499999999998 g/mol | RDKit | |
| 186.175 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 |
| 71.82 Ų | RDKit | |
| 70.9 Ų | chempirical lib | |
| LogP | -0.6280999999999999 | RDKit |
| -0.6281 | RDKit | |
| Molar Refractivity | 43.28100000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 186.08652356 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 186.18 g/mol. Edit any field — others recompute live.
