4-N,N-Bis(2-hydroxyethyl)aminobutyrophenone

HCID 43033

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Basic information

CAS: 59486-24-7
Standard SMILES: CCCC(=O)c1ccc(N(CCO)CCO)cc1
InChIKey: UTBJDLRJDZIZIF-UHFFFAOYSA-N
Molecular formula: C14H21NO3
Average molar mass: 251.32 g/mol
Monoisotopic mass: 251.15214353

Names & identifiers

Preferred name: 4-N,N-Bis(2-hydroxyethyl)aminobutyrophenone
IUPAC: 1-[4-[bis(2-hydroxyethyl)amino]phenyl]butan-1-one

Names & synonyms

PC1D3BYH3B59486-24-74-N,N-BIS(2-HYDROXYETHYL)AMINOBUTYROPHENONE4'-(Bis(2-hydroxyethyl)amino)butyrophenone1-(4-(Bis(2-hydroxyethyl)amino)phenyl)-1-butanone1-Butanone, 1-(4-(bis(2-hydroxyethyl)amino)phenyl)-UNII-PC1D3BYH3BDTXSID502754481-{4-[Bis(2-hydroxyethyl)amino]phenyl}butan-1-one

Database identifiers

CAS: 59486-24-7
PubChem CID: 43033
DTXSID: DTXSID50275448
UNII: PC1D3BYH3B

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 60.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 18
Formal charge: 0
Complexity: 231

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