Basic Information | Post buying leads | Suppliers | Cas Database |
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 | Hazard Symbols | N/A | |
Synonyms |
5H-Pyrrolo[3,4-b]pyrazine,5,6-dihydro- (9CI); |
Article Data | 2 |
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