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1,3-Dimethyl-1-[[methyl(nitroso)carbamoyl]amino]-3-nitrosourea

HCID 255239
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
16813-39-1
Standard SMILES
CN(N=O)C(=O)NN(C)C(=O)N(C)N=O
InChIKey
GUGIXTAIEPOASJ-UHFFFAOYSA-N
Molecular formula
C5H10N6O4
Average molar mass
218.17 g/mol
Monoisotopic mass
218.07635282

Names & identifiers

Preferred name
1,3-Dimethyl-1-[[methyl(nitroso)carbamoyl]amino]-3-nitrosourea
IUPAC
1,3-dimethyl-1-[[methyl(nitroso)carbamoyl]amino]-3-nitrosourea

Names & synonyms

16813-39-1NSC80589DTXSID70937450NSC-80589Biurea,3,6-trimethyl-1,6-dinitroso-N,N'-Dimethyl-N'-[methyl(nitroso)carbamoyl]-N-nitrosocarbamohydrazonic acid

Database identifiers

CAS
16813-39-1
PubChem CID
255239
DTXSID
DTXSID70937450

Properties

Computed structural properties

XLogP
-0.8
Topological polar surface area
115 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
0
Heavy atoms
15
Formal charge
0
Complexity
281

Related reactions

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Compound notes

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