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91476-81-2

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Basic Information
CAS No.: 91476-81-2
Name: Imidazo[1,2-a]pyrazine-2-carboxylic acid, 5,6,7,8-tetrahydro-, methyl ester (9CI)
Molecular Structure:
Molecular Structure of 91476-81-2 (Imidazo[1,2-a]pyrazine-2-carboxylic acid, 5,6,7,8-tetrahydro-, methyl ester (9CI))
Formula: C8H11N3O2
Molecular Weight: 181.194
Synonyms: Imidazo[1,2-a]pyrazine-2-carboxylic acid, 5,6,7,8-tetrahydro-, methyl ester (9CI);Imidazo[1,2-a]pyrazine-2-carboxylic acid, 5,6,7,8-tetrahydro-, methyl ester;METHYL 5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE-2-CARBOXYLATE;5,6,7,8-Tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid methyl ester
Density: 1.42g/cm3
Boiling Point: 388.7 °C at 760 mmHg
Flash Point: 188.9 °C
PSA: 56.15000
LogP: 0.10170
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Specification

The Imidazo[1,2-a]pyrazine-2-carboxylicacid, 5,6,7,8-tetrahydro-, methyl ester, with CAS registry number 91476-81-2, has the systematic name of Methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate. This chemical belongs to the following product category: Piperidine. And the chemical formula of this chemical is C8H11N3O2.

Physical properties of Imidazo[1,2-a]pyrazine-2-carboxylicacid, 5,6,7,8-tetrahydro-, methyl ester: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 4.45; (6)#H bond acceptors: 5; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 56.15 Å2; (10)Index of Refraction: 1.649; (11)Molar Refractivity: 46.43 cm3; (12)Molar Volume: 127.4 cm3; (13)Polarizability: 18.4×10-24cm3; (14)Surface Tension: 53.4 dyne/cm; (15)Enthalpy of Vaporization: 63.79 kJ/mol; (16)Vapour Pressure: 3.01E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1cn2c(n1)CNCC2
(2)InChI: InChI=1/C8H11N3O2/c1-13-8(12)6-5-11-3-2-9-4-7(11)10-6/h5,9H,2-4H2,1H3
(3)InChIKey: AHIJWXPZLFMLRH-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C8H11N3O2/c1-13-8(12)6-5-11-3-2-9-4-7(11)10-6/h5,9H,2-4H2,1H3
(5)Std. InChIKey: AHIJWXPZLFMLRH-UHFFFAOYSA-N