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50607-64-2

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Basic Information
CAS No.: 50607-64-2
Name: METHYL 2-METHYLPENTYLIDENE ANTHRANILATE
Molecular Structure:
Molecular Structure of 50607-64-2 (METHYL 2-METHYLPENTYLIDENE ANTHRANILATE)
Formula: C14H19NO2
Molecular Weight: 233.31
Synonyms: Methyl 2-(2-methylpentylidene)anthranilate;
EINECS: 256-650-2
Density: 0.99 g/cm3
Boiling Point: 351.6 °C at 760 mmHg
Flash Point: 144.8 °C
Appearance: yellow clear liquid
PSA: 38.66000
LogP: 3.61170
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Specification

The Benzoic acid,2-[(2-methylpentylidene)amino]-, methyl ester, with the CAS registry number 50607-64-2, is also known as Methyl 2-(2-methylpentylidene)anthranilate. Its EINECS registry number is 256-650-2. This chemical's molecular formula is C14H19NO2 and molecular weight is 233.3062. What's more, its IUPAC name is Methyl 2-(2-methylpentylideneamino)benzoate.

Physical properties about Benzoic acid,2-[(2-methylpentylidene)amino]-, methyl ester are: (1)ACD/LogP: 4.65; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.63; (4)ACD/LogD (pH 7.4): 4.65; (5)ACD/BCF (pH 5.5): 1933.89; (6)ACD/BCF (pH 7.4): 2009.06; (7)ACD/KOC (pH 5.5): 7749.19; (8)ACD/KOC (pH 7.4): 8050.42; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 38.66 Å2; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 69.25 cm3; (15)Molar Volume: 235.3 cm3; (16)Polarizability: 27.45×10-24cm3; (17)Surface Tension: 32.5 dyne/cm; (18)Density: 0.99 g/cm3; (19)Flash Point: 144.8 °C; (20)Enthalpy of Vaporization: 59.63 kJ/mol; (21)Boiling Point: 351.6 °C at 760 mmHg; (22)Vapour Pressure: 4.07E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)c1ccccc1/N=C/C(C)CCC
(2) InChI: InChI=1/C14H19NO2/c1-4-7-11(2)10-15-13-9-6-5-8-12(13)14(16)17-3/h5-6,8-11H,4,7H2,1-3H3/b15-10+
(3) InChIKey: DLMYZQZLWRLQNN-XNTDXEJSBH