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CAS No.: | 91476-82-3 |
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Name: | 5,6,7,8-Tetrahydro-imidazo[1,2-a]pyrazine-2-carboxylic acid ethyl ester |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C9H13N3O2 |
Molecular Weight: | 195.22 |
Synonyms: | 5,6,7,8-Tetrahydroimidazo[1,2-a]pyrazine-2-carboxylicacid ethyl ester;5,6,7,8-Tetrahydroimidazo[1,2-¨¢a]pyrazine-2-carboxylic acid ethyl ester;Ethyl5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate; |
Density: | 1.36 g/cm3 |
Boiling Point: | 394.02 °C at 760 mmHg |
Flash Point: | 192.097 °C |
PSA: | 56.15000 |
LogP: | 0.49180 |
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The Imidazo[1,2-a]pyrazine-2-carboxylicacid, 5,6,7,8-tetrahydro-, ethyl ester, with CAS registry number 91476-82-3, has the systematic name of ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate. Besides this, it is also called 5,6,7,8-tetrahydro-imidazo[1,2-a]pyrazine-2-carboxylic acid ethyl ester. And the chemical formula of this chemical is C9H13N3O2.
Physical properties of Imidazo[1,2-a]pyrazine-2-carboxylicacid, 5,6,7,8-tetrahydro-, ethyl ester: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 56.15 Å2; (7)Index of Refraction: 1.629; (8)Molar Refractivity: 51.042 cm3; (9)Molar Volume: 143.561 cm3; (10)Polarizability: 20.235×10-24cm3; (11)Surface Tension: 50.766 dyne/cm; (12)Density: 1.36 g/cm3; (13)Flash Point: 192.097 °C; (14)Enthalpy of Vaporization: 64.398 kJ/mol; (15)Boiling Point: 394.02 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.
Preparation: this chemical can be prepared by imidazo[1,2-a]pyrazinecarboxylate-2. This reaction will need reagent lithium borohydride and solvent dioxane. The reaction time is 30 min with reaction temperature of 20 - 60 ℃. The yield is about 95%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1nc2n(c1)CCNC2
(2)InChI: InChI=1/C9H13N3O2/c1-2-14-9(13)7-6-12-4-3-10-5-8(12)11-7/h6,10H,2-5H2,1H3
(3)InChIKey: YTYJZXFCWYHVPG-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C9H13N3O2/c1-2-14-9(13)7-6-12-4-3-10-5-8(12)11-7/h6,10H,2-5H2,1H3
(5)Std. InChIKey: YTYJZXFCWYHVPG-UHFFFAOYSA-N