5-[Bis(2-hydroxyethyl)amino]pentan-2-one

HCID 285259

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Basic information

CAS: 86271-48-9
Standard SMILES: CC(=O)CCCN(CCO)CCO
InChIKey: DNNILJGFRIKXHA-UHFFFAOYSA-N
Molecular formula: C9H19NO3
Average molar mass: 189.25 g/mol
Monoisotopic mass: 189.13649347

Names & identifiers

Preferred name: 5-[Bis(2-hydroxyethyl)amino]pentan-2-one
IUPAC: 5-[bis(2-hydroxyethyl)amino]pentan-2-one

Names & synonyms

86271-48-95-[bis(2-hydroxyethyl)amino]pentan-2-one5-(Bis(2-hydroxyethyl)amino)pentan-2-one2-Pentanone,5-[bis(2-hydroxyethyl)amino]-MFCD161647815-[Bis(2-hydroxyethyl)amino]-2-pentanoneNSC142076SCHEMBL12992254DTXSID90301255AKOS011327950NSC-142076DS-013542

Database identifiers

CAS: 86271-48-9
PubChem CID: 285259
DTXSID: DTXSID90301255

Properties

Computed structural properties

XLogP: -1.1
Topological polar surface area: 60.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 13
Formal charge: 0
Complexity: 133

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