2-[(E)-(2-cyanopropan-2-yl)diazenyl]-2-methylpropanamide

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Basic information

CAS: 21893-85-6
Standard SMILES: CC(C)(C#N)N=NC(C)(C)C(N)=O
InChIKey: VBYKDGMWPIDERE-UHFFFAOYSA-N
Molecular formula: C8H14N4O
Average molar mass: 182.22 g/mol
Monoisotopic mass: 182.11676108

Names & identifiers

Preferred name: 2-[(E)-(2-cyanopropan-2-yl)diazenyl]-2-methylpropanamide
IUPAC: 2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanamide

Names & synonyms

STK3966412-[(E)-(2-cyanopropan-2-yl)diazenyl]-2-methylpropanamide21893-85-6SCHEMBL11785293SCHEMBL11785297DTXSID30397278AKOS005431320ST508721542-[(1-cyano-isopropyl)diazenyl]-2-methylpropanamide

Database identifiers

CAS: 21893-85-6
PubChem CID: 3848876
DTXSID: DTXSID30397278

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 91.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 282

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Compound notes

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