N-[2,3-Dihydroxy-4-(methyl-nitroso-amino)butyl]-N-methyl-nitrous amide

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Basic information

CAS: 91784-19-9
Standard SMILES: CN(CC(O)C(O)CN(C)N=O)N=O
InChIKey: VALUYZDZDZOMIM-UHFFFAOYSA-N
Molecular formula: C6H14N4O4
Average molar mass: 206.2 g/mol
Monoisotopic mass: 206.10150494

Names & identifiers

Preferred name: N-[2,3-Dihydroxy-4-(methyl-nitroso-amino)butyl]-N-methyl-nitrous amide
IUPAC: N-[2,3-dihydroxy-4-[methyl(nitroso)amino]butyl]-N-methylnitrous amide

Names & synonyms

91784-19-9N-[2,3-DIHYDROXY-4-(METHYL-NITROSO-AMINO)BUTYL]-N-METHYL-NITROUS AMIDENSC260699DTXSID60312717NSC-260699N,N'-(2,3-Dihydroxybutane-1,4-diyl)bis(N-methylnitrous amide)

Database identifiers

CAS: 91784-19-9
PubChem CID: 319147
DTXSID: DTXSID60312717

Properties

Computed structural properties

XLogP: -1.1
Topological polar surface area: 106 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 171

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