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6,7-Dihydro-5H-pyrrolo[3,4-b]pyrazine

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Name

6,7-Dihydro-5H-pyrrolo[3,4-b]pyrazine

EINECS N/A
CAS No. 871792-60-8 Density 1.199 g/cm3
PSA 37.81000 LogP 0.40860
Solubility N/A Melting Point N/A
Formula C6H7N3 Boiling Point 211.6 °C at 760 mmHg
Molecular Weight 121.142 Flash Point 81.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 871792-60-8 (6,7-dihydro-5H-pyrrolo[3,4-b]pyrazine) Hazard Symbols N/A
Synonyms

5H-Pyrrolo[3,4-b]pyrazine,5,6-dihydro- (9CI);

Article Data 2

6,7-Dihydro-5H-pyrrolo[3,4-b]pyrazine Specification

The 6,7-Dihydro-5H-pyrrolo[3,4-b]pyrazine, with the cas registry number 871792-60-8, is also called 5H-pyrrolo[3,4-b]pyrazine, 6,7-dihydro-. And the molecular formula of the chemical is C6H7N3.

The characteristics of this chemical 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): 3.32; (5)ACD/KOC (pH 7.4): 3.67; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 37.81 Å2; (10)Index of Refraction: 1.574; (11)Molar Refractivity: 33.34 cm3; (12)Molar Volume: 101 cm3; (13)Polarizability: 13.21×10-24cm3; (14)Surface Tension: 54.6 dyne/cm; (15)Density: 1.199 g/cm3; (16)Flash Point: 81.8 °C; (17)Enthalpy of Vaporization: 44.79 kJ/mol; (18)Boiling Point: 211.6 °C at 760 mmHg; (19)Vapour Pressure: 0.181 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C1NCc2nccnc12
(2)InChI: InChI=1/C6H7N3/c1-2-9-6-4-7-3-5(6)8-1/h1-2,7H,3-4H2
(3)InChIKey: GSIQLKOFXMCKNK-UHFFFAOYAR

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