Butyramide, 2-ethyl-2-(ethylsulfonyl)-

HCID 48201

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Basic information

CAS: 66859-57-2
Standard SMILES: CCC(CC)(C(N)=O)S(=O)(=O)CC
InChIKey: CASHSQLBCKRRLY-UHFFFAOYSA-N
Molecular formula: C8H17NO3S
Average molar mass: 207.29 g/mol
Monoisotopic mass: 207.09291458

Names & identifiers

Preferred name: Butyramide, 2-ethyl-2-(ethylsulfonyl)-
IUPAC: 2-ethyl-2-ethylsulfonylbutanamide
English name: 2-Ethyl-2-(ethylsulfonyl)butyramide
Molecular formula: C8H17NO3S
Molecular weight: 207.29

Names & synonyms

2-Ethyl-2-(ethylsulfonyl)butyramideBRN 1867134BUTYRAMIDE, 2-ETHYL-2-(ETHYLSULFONYL)-66859-57-2DTXSID20216984RefChem:331157DTXCID501394752-(ETHANESULFONYL)-2-ETHYLBUTANAMIDEButanamide, 2-ethyl-2-(ethylsulfonyl)-

Database identifiers

CAS: 66859-57-2
PubChem CID: 48201
DTXSID: DTXSID20216984
Nikkaji: J65.824C

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 85.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 13
Formal charge: 0
Complexity: 272

Physicochemical properties

Boiling point: 413.6 · 413.6±28.0 °C(Predicted)
Density: 1.136 · 1.136±0.06 g/cm3(Predicted)
pka: 14 · 14+-.0.50(Predicted)

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