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91374-24-2

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Basic Information
CAS No.: 91374-24-2
Name: Ethyl 3-[2-[2-(dipropylamino)ethyl]-6-nitrophenyl]-2-oxopropanoate
Article Data: 4
Molecular Structure:
Molecular Structure of 91374-24-2 (Ethyl 3-[2-[2-(dipropylamino)ethyl]-6-nitrophenyl]-2-oxopropanoate)
Formula: C19H28 N2 O5
Molecular Weight: 364.442
Synonyms: 2-[2-(Dipropylamino)ethyl]-6-nitro-alpha-oxobenzenepropanoic acid ethyl ester
Density: 1.127
Boiling Point: 484.2°C at 760 mmHg
Flash Point: 246.6°C
PSA: 92.43000
LogP: 3.45720
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Chemistry

Molecular Structure of Ethyl 3-[2-[2-(dipropylamino)ethyl]-6-nitrophenyl]-2-oxopropanoate (CAS NO.91374-24-2):

Systematic Name: ethyl 3-{2-[2-(dipropylamino)ethyl]-6-nitrophenyl}-2-oxopropanoate 
Molecular Formula: C19H28N2O5
Molecular Weight: 364.44 
H bond acceptors: 7
H bond donors: 0
Freely Rotating Bonds: 13
Index of Refraction: 1.525
Molar Refractivity: 99.11 cm3
Molar Volume: 323.3 cm3
Surface Tension: 43.3 dyne/cm
Density: 1.127 g/cm3
Flash Point: 246.6 °C
Enthalpy of Vaporization: 74.94 kJ/mol
Boiling Point: 484.2 °C at 760 mmHg
Vapour Pressure: 1.58E-09 mmHg at 25 °C
SMILES: O=C(Cc1c(cccc1CCN(CCC)CCC)[N+]([O-])=O)C(=O)OCC
InChI: InChI=1/C19H28N2O5/c1-4-11-20(12-5-2)13-10-15-8-7-9-17(21(24)25)16(15)14-18(22)19(23)26-6-3/h7-9H,4-6,10-14H2,1-3H3
InChIKey: WOOIUFZMYXSJNR-UHFFFAOYAJ

Specification

 Ethyl 3-[2-[2-(dipropylamino)ethyl]-6-nitrophenyl]-2-oxopropanoate (CAS NO.91374-24-2), its Synonyms are Benzenepropanoic acid,2-[2-(dipropylamino)ethyl]-6-nitro-a-oxo-, ethyl ester ; 2-[2-(Dipropylamino)ethyl]-6-nitro-alpha-oxobenzenepropanoic acid ethyl ester ; Ropinirole Intermediate 3 ; 2-[2-(Dipropylamino)ethyl]-6-nitro-oxobenzene propanoic acid ethyl ester .