CAS No.15854-11-2,ETHYL 2-AMINO-4-(4-METHOXYPHENYL)-3-THIOPHENECARBOXYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	15854-11-2
Name:	ETHYL 2-AMINO-4-(4-METHOXYPHENYL)-3-THIOPHENECARBOXYLATE
Article Data:	10

Formula:	C₁₄H₁₅NO₃S
Molecular Weight:	277.344
Synonyms:	3-Thiophenecarboxylicacid, 2-amino-4-(p-methoxyphenyl)-, ethyl ester (8CI);
Density:	1.233 g/cm³
Melting Point:	74 °C
Boiling Point:	424.2 °C at 760 mmHg
Flash Point:	210.4 °C
Hazard Symbols:	Xi
Risk Codes:	Xi:; "> Xi:;
Safety:	26
PSA:	89.79000
LogP:	3.76380

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- China (Mainland)(16)
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Specification

The 3-Thiophenecarboxylicacid, 2-amino-4-(4-methoxyphenyl)-, ethyl ester, with the CAS registry number 15854-11-2, is also known as Ethyl 2-amino-4-(4-methoxyphenyl)-3-thiophenecarboxylate. This chemical's molecular formula is C₁₄H₁₅NO₃S and molecular weight is 277.34. What's more, both its IUPAC name and systematic name are the same which is called Ethyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 3-Thiophenecarboxylicacid, 2-amino-4-(4-methoxyphenyl)-, ethyl ester are: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 67.01 Å²; (7)Index of Refraction: 1.596; (8)Molar Refractivity: 76.54 cm³; (9)Molar Volume: 224.8 cm³; (10)Surface Tension: 47.6 dyne/cm; (11)Density: 1.233 g/cm³; (12)Flash Point: 210.4 °C; (13)Enthalpy of Vaporization: 67.87 kJ/mol; (14)Boiling Point: 424.2 °C at 760 mmHg; (15)Vapour Pressure: 2.1E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c2c(scc2c1ccc(OC)cc1)N
(2) InChI: InChI=1/C14H15NO3S/c1-3-18-14(16)12-11(8-19-13(12)15)9-4-6-10(17-2)7-5-9/h4-8H,3,15H2,1-2H3
(3) InChIKey: ZUOUKGJUHCKVDK-UHFFFAOYAG