CAS No.13070-53-6,Ethyl 3-(ethylamino)crotonate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13070-53-6
Name:	Ethyl 3-(ethylamino)crotonate

Formula:	C₈H₁₅NO₂
Molecular Weight:	157.213
Synonyms:	Crotonicacid, 3-(ethylamino)-, ethyl ester (7CI,8CI);Ethyl 3-(ethylamino)-2-butenoate;Ethyl b-(ethylamino)crotonate;NSC 146568;
Density:	0.945 g/cm³
Boiling Point:	227.614 °C at 760 mmHg
Flash Point:	91.458 °C
PSA:	38.33000
LogP:	1.45370

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Specification

This chemical is called Ethyl 3-(ethylamino)crotonate, and it can also be named as 3-Ethylaminobut-2-enoic acid ethyl ester. With the molecular formula of C₈H₁₅NO₂, its molecular weight is 157.21. The CAS registry number of this chemical is 13070-53-6, and its product category is Ketones.

Other characteristics of the Ethyl 3-(ethylamino)crotonate can be summarised as followings: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 51; (8)ACD/KOC (pH 7.4): 126; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 38.33 Å²; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 44.382 cm³; (15)Molar Volume: 166.304 cm³; (16)Polarizability: 17.594×10^-24cm³; (17)Surface Tension: 29.179 dyne/cm; (18)Density: 0.945 g/cm³; (19)Flash Point: 91.458 °C; (20)Enthalpy of Vaporization: 46.418 kJ/mol; (21)Boiling Point: 227.614 °C at 760 mmHg; (22)Vapour Pressure: 0.077 mmHg at 25 °C.

Uses of this chemical: The Ethyl 3-(ethylamino)crotonate could react with 2-chloro-5-methyl-[1,4]benzoquinone, and obtain the 1-Ethyl-2,7-dimethyl-3-ethoxycarbonyl-4-chloro-5-hydroxyindole and 2-Chloro-3-(b-ethylamino-b-methyl-a-ethoxycarbonyl)vinyl-5-methylhydroquinone. This reaction needs the solvent of methanol. The yield is 50 %. In additon, this reaction should be taken at the temperature of -5 °C.

You can still convert the following datas into molecular structure:
1.SMILES: CCOC(=O)/C=C(/C)NCC
2.InChI: InChI=1/C8H15NO2/c1-4-9-7(3)6-8(10)11-5-2/h6,9H,4-5H2,1-3H3/b7-6-
3.InChIKey: MRDCWMLXFWVCIR-SREVYHEPBZ