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Basic Information
CAS No.: 6640-07-9
Name: ethyl N-cyclohexyl-N-(phenylcarbamoyl)-beta-alaninate
Molecular Structure:
Molecular Structure of 6640-07-9 (ethyl N-cyclohexyl-N-(phenylcarbamoyl)-beta-alaninate)
Formula: C18H26N2O3
Molecular Weight: 318.4106
Synonyms: NSC49072;β-Alanine,N-cyclohexyl-N-[(phenylamino)carbonyl]-, ethyl ester;
Density: 1.12 g/cm3
Boiling Point: 503.8 °C at 760 mmHg
Flash Point: 258.5 °C
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  • Ethyl N-cyclohexyl-N-(phenylcarbamoyl)-β-alaninate

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  • Ethyl N-cyclohexyl-N-(phenylcarbamoyl)-β-alaninate cas 6640-07-9

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    Ethyl N-cyclohexyl-N-(phenylcarbamoyl)-β-alaninate cas 6640-07-9

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    Ethyl N-cyclohexyl-N-(phenylcarbamoyl)-β-alaninate cas 6640-07-9Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The Ethyl N-cyclohexyl-N-(phenylcarbamoyl)-β-alaninate, with the CAS registry number 6640-07-9, is also known as β-Alanine, N-cyclohexyl-N-[(phenylamino)carbonyl]-, ethyl ester. This chemical's molecular formula is C18H26N2O3 and molecular weight is 318.4106. What's more, its IUPAC name is Ethyl 3-[cyclohexyl(phenylcarbamoyl)amino]propanoate.

Physical properties about Ethyl N-cyclohexyl-N-(phenylcarbamoyl)-β-alaninate are: (1)ACD/LogP: 3.84; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 49.85 Å2; (7)Index of Refraction: 1.547; (8)Molar Refractivity: 89.76 cm3; (9)Molar Volume: 282.7 cm3; (10)Polarizability: 35.58×10-24 cm3; (11)Surface Tension: 46.4 dyne/cm; (12)Density: 1.12 g/cm3; (13)Flash Point: 258.5 °C; (14)Enthalpy of Vaporization: 77.31 kJ/mol; (15)Boiling Point: 503.8 °C at 760 mmHg; (16)Vapour Pressure: 2.82E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N(CCC(=O)OCC)C1CCCCC1)Nc2ccccc2
(2) InChI: InChI=1/C18H26N2O3/c1-2-23-17(21)13-14-20(16-11-7-4-8-12-16)18(22)19-15-9-5-3-6-10-15/h3,5-6,9-10,16H,2,4,7-8,11-14H2,1H3,(H,19,22)
(3) InChIKey: BRQJARCKAHLTRH-UHFFFAOYAC