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CAS No.: | 96193-27-0 |
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Name: | Pyrrolo[1,2-a]pyrazine, octahydro-, (8aR)- (9CI) |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C7H14N2 |
Molecular Weight: | 126.202 |
Synonyms: | Pyrrolo[1,2-a]pyrazine,octahydro-, (R)-; |
Density: | 1.036 g/cm3 |
Boiling Point: | 199.639 °C at 760 mmHg |
Flash Point: | 199.639 °C |
Solubility: | Slightly soluble in water. |
Hazard Symbols: | Xi |
PSA: | 15.27000 |
LogP: | 0.32070 |
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The CAS registry number of (R)-1,4-Diazobicyclo[4.3.0]nonane is 96193-27-0. In addition, the molecular formula is C7H14N2 and the molecular weight is 126.20. Its systematic name is (8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about (R)-1,4-Diazobicyclo[4.3.0]nonane are: (1)ACD/LogP: 0.14; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)Polar Surface Area: 15.27 Å2; (9)Index of Refraction: 1.534; (10)Molar Refractivity: 37.879 cm3; (11)Molar Volume: 121.86 cm3; (12)Polarizability: 15.016 ×10-24cm3; (13)Surface Tension: 38.642 dyne/cm; (14)Density: 1.036 g/cm3; (15)Flash Point: 88.833 °C; (16)Enthalpy of Vaporization: 43.584 kJ/mol; (17)Boiling Point: 199.639 °C at 760 mmHg; (18)Vapour Pressure: 0.338 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C1C[C@@H]2CNCCN2C1
(2)Std. InChI: InChI=1S/C7H14N2/c1-2-7-6-8-3-5-9(7)4-1/h7-8H,1-6H2/t7-/m1/s1
(3)Std. InChIKey: FTTATHOUSOIFOQ-SSDOTTSWSA-N