Dinitrosopentamethylenetetramine

C₅H₁₀N₆O₂CAS 101-25-7186.17 g/mol

Open in Covalent MOL file

Tertiary amine

Properties

Molecular formula: C₅H₁₀N₆O₂
Molar mass: 186.17 g/mol
Exact mass: 186.0865 Da
Melting point: 100.7 °C
logP: -0.63Crippen estimate
Polar surface area: 71.8 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 2

Hazards

Danger

H228 Flammable solid81.6% of notifiers
H242 Heating may cause a fire28.9% of notifiers
H302 Harmful if swallowed98.7% of notifiers
H317 May cause an allergic skin reaction19.7% of notifiers
H319 Causes serious eye irritation63.2% of notifiers
H332 Harmful if inhaled64.5% of notifiers
H335 May cause respiratory irritation63.2% of notifiers

Aggregated from 76 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P234, P235, P240, P241, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P333+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P410, P411, P420, P501

Identifiers

CAS number

101-25-7

SMILES

O=NN1CN2CN(C1)CN(N=O)C2

InChIKey

MWRWFPQBGSZWNV-UHFFFAOYSA-N

InChI

InChI=1S/C5H10N6O2/c12-6-10-2-8-1-9(4-10)5-11(3-8)7-13/h1-5H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

57 names · show all

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
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

Work with Dinitrosopentamethylenetetramine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Nitrosopyrrolidine930-55-245 % similar N-Nitrosodiethylamine55-18-543 % similar N-Nitrosodipropylamine621-64-739 % similar 2,2′-(Nitrosoimino)bis[acetonitrile]16339-18-738 % similar N-Nitrosodibutylamine924-16-336 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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