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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.

External Resources

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

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