Dimethyl butane-1,4-diylbis(nitrosocarbamate)

HCID 282248

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Basic information

CAS: 40002-44-6
Standard SMILES: COC(=O)N(CCCCN(N=O)C(=O)OC)N=O
InChIKey: WRWJIBVYXNQEGK-UHFFFAOYSA-N
Molecular formula: C8H14N4O6
Average molar mass: 262.22 g/mol
Monoisotopic mass: 262.09133418

Names & identifiers

Preferred name: Dimethyl butane-1,4-diylbis(nitrosocarbamate)
IUPAC: methyl N-[4-[methoxycarbonyl(nitroso)amino]butyl]-N-nitrosocarbamate

Names & synonyms

dimethyl butane-1,4-diylbis(nitrosocarbamate)40002-44-6DTXSID80300232RefChem:1083690DTXCID90251367NSC135449methyl N-[4-[methoxycarbonyl(nitroso)amino]butyl]-N-nitrosocarbamateNSC-135449methyl N-[4-[methoxycarbonyl(nitroso)amino]butyl]-N-nitroso-carbamate

Database identifiers

CAS: 40002-44-6
PubChem CID: 282248
DTXSID: DTXSID80300232

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 118 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 18
Formal charge: 0
Complexity: 280

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