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| Name |
2(1H)-Pyridinone,1-[(3-amino-2-methylphenyl)methyl]-4-[2-(2-thienyl)ethoxy]- |
EINECS | N/A |
| CAS No. | 934628-27-0 | Density | 1.273 g/cm3 |
| PSA | 85.49000 | LogP | 4.05140 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C19H20N2O2S | Boiling Point | 607.121 °C at 760 mmHg |
| Molecular Weight | 340.446 | Flash Point | 320.975 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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; |
2(1H)-Pyridinone,1-[(3-amino-2-methylphenyl)methyl]-4-[2-(2-thienyl)ethoxy]- 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
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