CAS 38954-40-4 Ethanol, 2-(ethylphenylamino)-, 1-acetate (HCID 113382)

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Basic information

CAS: 38954-40-4
Standard SMILES: CCN(CCOC(C)=O)c1ccccc1
InChIKey: GPCCXIVDZANEJZ-UHFFFAOYSA-N
Molecular formula: C12H17NO2
Average molar mass: 207.27 g/mol
Monoisotopic mass: 207.12592878

Names & identifiers

Preferred name: Ethanol, 2-(ethylphenylamino)-, 1-acetate
IUPAC: 2-(N-ethylanilino)ethyl acetate
English name: 2-(ethylphenylamino)ethyl acetate
Molecular formula: C12H17NO2
Molecular weight: 207.27

Names & synonyms

2-(Ethylphenylamino)ethyl acetateN-(2-Acetoxyethyl)-N-ethylanilineEthanol, 2-(ethylphenylamino)-, acetate (ester)Ethanol, 2-(ethylphenylamino)-, 1-acetateEINECS 254-218-8DTXSID0068151RefChem:138297DTXCID8039584254-218-838954-40-42-(Ethyl(phenyl)amino)ethyl acetate2-(N-ethylanilino)ethyl acetate

Show more names

2-(N-ETHYLANILINO)-ETHYL ACETATE

2-(Ethyl(phenyl)amino)ethylacetate2-[ethyl(phenyl)amino]ethyl acetateN-Ethyl-N-(2-acetoxyethyl)anilineYJ4QTG42UK2-(ethylanilino)ethyl acetateSCHEMBL5691122SCHEMBL6553839AKOS015890508

Database identifiers

CAS: 38954-40-4
PubChem CID: 113382
DTXSID: DTXSID0068151
UNII: YJ4QTG42UK
EC Number: 254-218-8
Nikkaji: J148.233E

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 15
Formal charge: 0
Complexity: 188

Experimental & physicochemical properties

LogP2.04

Physicochemical properties

Boiling point: 302.8 · 302.8±25.0 °C(Predicted)
Density: 1.052 · 1.052±0.06 g/cm3(Predicted)
pka: 5.74 · 5.74±0.50(Predicted)
EPA Substance Registry System: 2 · Ethanol, 2-(ethylphenylamino)-, acetate (ester) (38954-40-4)
TSCA: TSCA listed