5-[Ethyl(2-hydroxyethyl)amino]-2-pentanone

C₉H₁₉NO₂CAS 74509-79-8173.26 g/mol

Open in Covalent MOL file

Alcohol Ketone Tertiary amine

Properties

Molecular formula: C₉H₁₉NO₂
Molar mass: 173.26 g/mol
Exact mass: 173.1416 Da
Boiling point: 89–90 °C (at 0.35 Torr)
logP: 0.67Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 7

Identifiers

CAS number

74509-79-8

SMILES

CCN(CCO)CCCC(C)=O

InChIKey

QZNLTZOIQGUVGO-UHFFFAOYSA-N

InChI

InChI=1S/C9H19NO2/c1-3-10(7-8-11)6-4-5-9(2)12/h11H,3-8H2,1-2H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

2-Pentanone, 5-[ethyl(2-hydroxyethyl)amino]-
5-[N-Ethyl-N-(2-hydroxyethyl)amino]-2-pentanone

Work with 5-[Ethyl(2-hydroxyethyl)amino]-2-pentanone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-(Diethylamino)-2-pentanone105-14-673 % similar N-Ethyldiethanolamine139-87-755 % similar 5-Hydroxy-2-pentanone1071-73-455 % similar Diethylethanolamine100-37-850 % similar 2-[(4-Aminopentyl)ethylamino]ethanol69559-11-149 % similar 4-Hydroxy-2-butanone590-90-948 % similar 3-(Diethylamino)-1-propanol622-93-547 % similar 2-(Diethylamino)ethanol hydrochloride14426-20-145 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

L-Valine tert-butyl ester13211-31-9 (3R,4R)-3-(Aminomethyl)-4,5-dimethylhexanoic acid313651-25-1 1,4-Dihydroxy-2,2,6,6-tetramethylpiperidine3637-10-3

Elsewhere

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