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

Name
6,7-dihydro-5H-pyrrolo[3,4-b]pyrazine
EINECS
CAS No. 871792-60-8
Article Data2
CAS DataBase
Density 1.199 g/cm³
Solubility
Melting Point
Formula C₆H₇N₃
Boiling Point 211.6 °C at 760 mmHg
Molecular Weight 121.142
Flash Point 81.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5H-Pyrrolo[3,4-b]pyrazine,5,6-dihydro- (9CI);
PSA 37.81000
LogP 0.40860

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

Product Name

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

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

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