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CAS No.: | 297172-19-1 |
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Name: | Imidazo[1,5-a]pyrazine,5,6,7,8-tetrahydro- |
Molecular Structure: | |
Formula: | C6H9N3 |
Molecular Weight: | 123.1558 |
Synonyms: | 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;imidazo[1,5-a]pyrazine, 5,6,7,8-tetrahydro-; |
Density: | 1.33 g/cm3 |
Boiling Point: | 340 °C at 760 mmHg |
Flash Point: | 159.4 °C |
PSA: | 29.85000 |
LogP: | 0.31510 |
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The Imidazo[1,5-a]pyrazine,5,6,7,8-tetrahydro-, with the CAS registry number 297172-19-1, has the systematic name of 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine. It belongs to the proudct category of Amine Tertiary. And the molecular formula of the chemical is C6H9N3.
The characteristics of Imidazo[1,5-a]pyrazine,5,6,7,8-tetrahydro- are as followings: (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): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 29.85 Å2; (10)Index of Refraction: 1.689; (11)Molar Refractivity: 35.15 cm3; (12)Molar Volume: 92 cm3; (13)Polarizability: 13.93×10-24cm3; (14)Surface Tension: 54.4 dyne/cm; (15)Density: 1.33 g/cm3; (16)Flash Point: 159.4 °C; (17)Enthalpy of Vaporization: 58.35 kJ/mol; (18)Boiling Point: 340 °C at 760 mmHg; (19)Vapour Pressure: 8.84E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C1NCCn2cncc12
(2)InChI: InChI=1/C6H9N3/c1-2-9-5-8-4-6(9)3-7-1/h4-5,7H,1-3H2
(3)InChIKey: WROMFHICINADER-UHFFFAOYAH