n-(Chloromethyl)-n'-{[methyl(nitro)amino]methyl}-n,n'-dinitromethanediamine

HCID 283336
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Basic information

CAS
13126-19-7
Standard SMILES
CN(CN(CN(CCl)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChIKey
GVAYJNGBOXNOJI-UHFFFAOYSA-N
Molecular formula
C4H9ClN6O6
Average molar mass
272.6 g/mol
Monoisotopic mass
272.02720969

Names & identifiers

Preferred name
n-(Chloromethyl)-n'-{[methyl(nitro)amino]methyl}-n,n'-dinitromethanediamine
IUPAC
N-(chloromethyl)-N-[[[methyl(nitro)amino]methyl-nitroamino]methyl]nitramide

Names & synonyms

13126-19-7n-(chloromethyl)-n'-{[methyl(nitro)amino]methyl}-n,n'-dinitromethanediamineNSC137859SCHEMBL9481113DTXSID60300614NSC-137859N-(Chloromethyl)-N-{[{[methyl(nitro)amino]methyl}(nitro)amino]methyl}nitramide

Database identifiers

CAS
13126-19-7
PubChem CID
283336
DTXSID
DTXSID60300614

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
147 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
5
Heavy atoms
17

Related reactions

1 records
New reaction record

Compound notes

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CAS 13126-19-7 n-(Chloromethyl)-n'-{[methyl(nitro)amino]methyl}-n,n'-dinitromethanediamine (HCID 283336)｜Huagongshe