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CAS No.: | 4745-93-1 |
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Name: | 4,7-Diazaindole |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C6H5N3 |
Molecular Weight: | 119.126 |
Synonyms: | 4,7-Diazaindole; |
Density: | 1.349 g/cm3 |
Melting Point: | 155-156 °C |
Boiling Point: | 236 °C |
Flash Point: | 96 °C |
PSA: | 41.57000 |
LogP: | 0.95790 |
The 4,7-Diazaindole is an organic compound with the formula C6H5N3. The IUPAC name of this chemical is 5H-pyrrolo[2,3-b]pyrazine. With the CAS registry number 4745-93-1, it is also named as Pyrrolo(2,3-b)pyrazine. The product's categories are Heterocycles series.
Physical properties about 4,7-Diazaindole are: (1)ACD/LogP: 0.86; (2)ACD/LogD (pH 5.5): 0.86; (3)ACD/LogD (pH 7.4): 0.861; (4)ACD/BCF (pH 5.5): 2.648; (5)ACD/BCF (pH 7.4): 2.655; (6)ACD/KOC (pH 5.5): 69.831; (7)ACD/KOC (pH 7.4): 70.008; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 41.57 Å2; (11)Index of Refraction: 1.715; (12)Molar Refractivity: 34.711 cm3; (13)Molar Volume: 88.319 cm3; (14)Polarizability: 13.761×10-24cm3; (15)Surface Tension: 73.965 dyne/cm.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c[nH]c2c1nccn2
(2)InChI: InChI=1/C6H5N3/c1-2-8-6-5(1)7-3-4-9-6/h1-4H,(H,8,9)
(3)InChIKey: HFTVJMFWJUFBNO-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C6H5N3/c1-2-8-6-5(1)7-3-4-9-6/h1-4H,(H,8,9)
(5)Std. InChIKey: HFTVJMFWJUFBNO-UHFFFAOYSA-N