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934628-27-0

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Basic Information
CAS No.: 934628-27-0
Name: 1-(3-AMINO-2-METHYL-BENZYL)-4-(2-THIOPHEN-2-YL-ETHOXY)-2-PYRIDONE
Molecular Structure:
Molecular Structure of 934628-27-0 (1-(3-AMINO-2-METHYL-BENZYL)-4-(2-THIOPHEN-2-YL-ETHOXY)-2-PYRIDONE)
Formula: C19H20N2O2S
Molecular Weight: 340.446
Synonyms: CG400549;1-(3-amino-2-methylbenzyl)-4-[2-(thiophen-2-yl)ethoxy]pyridin-2(1H)-one;1-[(3-amino-2-methylphenyl)methyl]-4-(2-thiophen-2-ylethoxy)pyridin-2-one;1-(3-Amino-2-methyl-benzyl)-4-(2-thiophen-2-yl-ethoxy)-2-pyridone;1-[(3-amino-2-methylphenyl)methyl]-4-[2-(thiophen-2-yl)ethoxy]-1,2-dihydropyridin-2-one;
Density: 1.273 g/cm3
Boiling Point: 607.121 °C at 760 mmHg
Flash Point: 320.975 °C
PSA: 85.49000
LogP: 4.05140
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Specification

The 2(1H)-Pyridinone,1-[(3-amino-2-methylphenyl)methyl]-4-[2-(2-thienyl)ethoxy]-, with the CAS registry number 934628-27-0, has the systematic name of 1-(3-amino-2-methylbenzyl)-4-[2-(thiophen-2-yl)ethoxy]pyridin-2(1H)-one. And the molecular formula of the chemical is C19H20N2O2S.

The characteristics of 2(1H)-Pyridinone,1-[(3-amino-2-methylphenyl)methyl]-4-[2-(2-thienyl)ethoxy]- are as followings: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 83.8 Å2; (7)Index of Refraction: 1.655; (8)Molar Refractivity: 98.179 cm3; (9)Molar Volume: 267.488 cm3; (10)Polarizability: 38.921×10-24cm3; (11)Surface Tension: 59.511 dyne/cm; (12)Density: 1.273 g/cm3; (13)Flash Point: 320.975 °C; (14)Enthalpy of Vaporization: 90.23 kJ/mol; (15)Boiling Point: 607.121 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C2\C=C(\OCCc1sccc1)/C=C\N2Cc3cccc(N)c3C
(2)InChI: InChI=1/C19H20N2O2S/c1-14-15(4-2-6-18(14)20)13-21-9-7-16(12-19(21)22)23-10-8-17-5-3-11-24-17/h2-7,9,11-12H,8,10,13,20H2,1H3
(3)InChIKey: YCLREGRRHGLOAK-UHFFFAOYAP