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Benzeneaceticacid, a-(1-methylpropyl)-, 2-(diethylamino)ethyl ester

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Name

Benzeneaceticacid, a-(1-methylpropyl)-, 2-(diethylamino)ethyl ester

EINECS N/A
CAS No. 26878-41-1 Density 0.974 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C18H29NO2 Boiling Point 374 °C at 760 mmHg
Molecular Weight 291.434 Flash Point 110.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 26878-41-1 (2-(diethylamino)ethyl 3-methyl-2-phenylpentanoate) Hazard Symbols N/A
Synonyms

Valericacid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester (6CI,7CI,8CI);NSC 165857;

 

Benzeneaceticacid, a-(1-methylpropyl)-, 2-(diethylamino)ethyl ester Specification

The CAS register number of Benzeneaceticacid, a-(1-methylpropyl)-, 2-(diethylamino)ethyl ester is 26878-41-1. The IUPAC name about this chemical is 2-(diethylamino)ethyl 3-methyl-2-phenylpentanoate. The molecular formula about this chemical is C18H29NO2 and the molecular weight is 291.43376.

Physical properties about Benzeneaceticacid, a-(1-methylpropyl)-, 2-(diethylamino)ethyl ester are: (1)ACD/LogP: 4.94; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 10; (4)Polar Surface Area: 29.54 Å2; (5)Index of Refraction: 1.497; (6)Molar Refractivity: 87.58 cm3; (7)Molar Volume: 299.1 cm3; (8)Polarizability: 34.72x10-24cm3; (9)Surface Tension: 35 dyne/cm; (10)Density: 0.974 g/cm3; (11)Flash Point: 110.9 °C; (12)Enthalpy of Vaporization: 62.13 kJ/mol; (13)Boiling Point: 374 °C at 760 mmHg; (14)Vapour Pressure: 8.62E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCN(CC)CC)C(c1ccccc1)C(CC)C
(2)InChI: InChI=1/C18H29NO2/c1-5-15(4)17(16-11-9-8-10-12-16)18(20)21-14-13-19(6-2)7-3/h8-12,15,17H,5-7,13-14H2,1-4H3
(3)InChIKey: LKQUJKDIEHGPLY-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C18H29NO2/c1-5-15(4)17(16-11-9-8-10-12-16)18(20)21-14-13-19(6-2)7-3/h8-12,15,17H,5-7,13-14H2,1-4H3
(5)Std. InChIKey: LKQUJKDIEHGPLY-UHFFFAOYSA-N

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