-
Name
Pyrrolo[1,2-a]pyrazine
- EINECS
- CAS No. 274-45-3
- Article Data8
- CAS DataBase
- Density 1.14 g/cm3
- Solubility
- Melting Point
- Formula C7H6N2
- Boiling Point 71 °C(Press: 2 Torr)
- Molecular Weight 118.14
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 7-Azaindolizine;
- PSA 17.30000
- LogP 1.33430
Pyrrolo[1,2-a]pyrazine Specification
This chemical is called Pyrrolo[1,2-a]pyrazine, and its CAS registry number is 274-45-3. With the molecular formula of C7H6N2, its molecular weight is 118.14.
Other characteristics of the Pyrrolo[1,2-a]pyrazine can be summarised as followings: (1)ACD/LogP: 1.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3.38; (6)ACD/BCF (pH 7.4): 3.38; (7)ACD/KOC (pH 5.5): 83.14; (8)ACD/KOC (pH 7.4): 83.14; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.3 Å2; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 36.71 cm3; (15)Molar Volume: 103.4 cm3; (16)Polarizability: 14.55×10-24cm3; (17)Surface Tension: 45.7 dyne/cm; (18)Density: 1.14 g/cm3.
You can still convert the following datas into molecular structure:
1.SMILES: c1ccc2cnccn12
2.InChI: InChI=1/C7H6N2/c1-2-7-6-8-3-5-9(7)4-1/h1-6H
3.InChIKey: QSLLFYVBWXWUQT-UHFFFAOYAE
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