2-Propenoicacid, 3-(diethylamino)-3-phenyl-, ethyl ester supplier

Name
ethyl (2Z)-3-(diethylamino)-3-phenylprop-2-enoate
EINECS
CAS No. 6288-55-7
Density 1.015 g/cm³
Solubility
Melting Point
Formula C₁₅H₂₁NO₂
Boiling Point 358.3 °C at 760 mmHg
Molecular Weight 247.337
Flash Point 123.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cinnamicacid, b-(diethylamino)-, ethyl ester (8CI);NSC 11443;
PSA
LogP

2-Propenoicacid, 3-(diethylamino)-3-phenyl-, ethyl ester Specification

The 2-Propenoicacid, 3-(diethylamino)-3-phenyl-, ethyl ester, with the CAS registry number of 6288-55-7, is also known as NSC11443. This chemical's molecular formula is C₁₅H₂₁NO₂ and molecular weight is 247.3327. What's more, its IUPAC name is Ethyl (Z)-3-(diethylamino)-3-phenylprop-2-enoate.

Physical properties about are: (1)ACD/LogP: 4.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.01; (4)ACD/LogD (pH 7.4): 4.22; (5)ACD/BCF (pH 5.5): 588.57; (6)ACD/BCF (pH 7.4): 945.76; (7)ACD/KOC (pH 5.5): 2915.5; (8)ACD/KOC (pH 7.4): 4684.87; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 74.07 cm³; (15)Molar Volume: 243.5 cm³; (16)Polarizability: 29.36×10^-24 cm³; (17)Surface Tension: 36.7 dyne/cm; (18)Density: 1.015 g/cm³; (19)Flash Point: 123.9 °C; (20)Enthalpy of Vaporization: 60.37 kJ/mol; (21)Boiling Point: 358.3 °C at 760 mmHg; (22)Vapour Pressure: 2.58E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)/C=C(\N(CC)CC)c1ccccc1
(2) InChI: InChI=1/C15H21NO2/c1-4-16(5-2)14(12-15(17)18-6-3)13-10-8-7-9-11-13/h7-12H,4-6H2,1-3H3/b14-12-
(3) InChIKey: QSVUSCYFXKHLEV-OWBHPGMIBR

Product Name

ethyl (2Z)-3-(diethylamino)-3-phenylprop-2-enoate

2-Propenoicacid, 3-(diethylamino)-3-phenyl-, ethyl ester Specification

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