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51108-34-0

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Basic Information
CAS No.: 51108-34-0
Name: 2-Benzofurancarboxylicacid, 3-[2-(4-methoxyphenyl)-2-phenylethenyl]-
Molecular Structure:
Molecular Structure of 51108-34-0 (2-Benzofurancarboxylicacid, 3-[2-(4-methoxyphenyl)-2-phenylethenyl]-)
Formula: C3H6N4O
Molecular Weight: 114.1059
Synonyms: NSC207101;3-methoxy-1H-1,2,4-triazol-5-amine;CID307982;
Density: 1.417 g/cm3
Boiling Point: 326.8 °C at 760 mmHg
Flash Point: 151.4 °C
PSA: 76.82000
LogP: -0.02330
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Specification

The CAS register number of 1H-1,2,4-Triazol-3-amine,5-methoxy- is 51108-34-0. It also can be called as NSC207101 and the IUPAC name about this chemical is 3-methoxy-1H-1,2,4-triazol-5-amine. The molecular formula about this chemical is C3H6N4O and the molecular weight is 114.1059.

Physical properties about 1H-1,2,4-Triazol-3-amine,5-methoxy- are: (1)ACD/LogP: -0.54; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 11.78; (5)ACD/KOC (pH 7.4): 12.06; (6)#H bond acceptors: 5; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 43.18 Å2; (10)Index of Refraction: 1.606; (11)Molar Refractivity: 27.78 cm3; (12)Molar Volume: 80.4 cm3; (13)Polarizability: 11.01x10-24cm3; (14)Surface Tension: 76 dyne/cm; (15)Density: 1.417 g/cm3; (16)Flash Point: 151.4 °C; (17)Enthalpy of Vaporization: 56.9 kJ/mol; (18)Boiling Point: 326.8 °C at 760 mmHg; (19)Vapour Pressure: 0.000211 mmHg at 25 °C.

Uses of 1H-1,2,4-Triazol-3-amine,5-methoxy-: it can be used to produce 5-amino-3-methoxy-[1,2,4]triazole-1-carboxylic acid methyl ester with carbonochloridic acid methyl ester. This reaction will need solvent of pyridine. This reaction needs ambient temperature. The yield is about 76%.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1nc(N)nn1)C
(2)InChI: InChI=1/C3H6N4O/c1-8-3-5-2(4)6-7-3/h1H3,(H3,4,5,6,7)
(3)InChIKey: JUHWLXRDVSBGOO-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C3H6N4O/c1-8-3-5-2(4)6-7-3/h1H3,(H3,4,5,6,7)
(5)Std. InChIKey: JUHWLXRDVSBGOO-UHFFFAOYSA-N