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Name |
4,5,6,7-Tetrahydropyrazolo[1,5-a]pyrimidine |
EINECS | N/A |
CAS No. | 126352-69-0 | Density | 1.338 g/cm3 |
PSA | 29.85000 | LogP | 0.83670 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H9N3 | Boiling Point | 290.186 °C at 760 mmHg |
Molecular Weight | 123.158 | Flash Point | 129.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 45 | Risk Codes | 25 |
Molecular Structure | Hazard Symbols | T | |
Synonyms |
4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRIMIDINE;4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine(HCl salt);5-a]pyriMidine;7-tetrahydropyrazolo[1;4,5,6,7-Tetrahydropyrazolo[1,5-a]pyriMidine 2HCl;Pyrazolo[1,5-a]pyriMidine,4,5,6,7-tetrahydro- |
Article Data | 3 |
The Pyrazolo[1, 5-a]pyrimidine, 4, 5, 6, 7-tetrahydro-, with the CAS registry number of 126352-69-0, is also known as 4H, 5H, 6H, 7H-Pyrazolo[1, 5-a]1, 3-diazaperhydroine. It belongs to the product category of Chiral chemicals. This chemical's molecular formula is C6H9N3 and molecular weight is 123.16. What's more, its systematic name is called 4, 5, 6, 7-Tetrahydropyrazolo[1,5-a]pyrimidine.
Physical properties about Pyrazolo[1, 5-a]pyrimidine, 4, 5, 6, 7-tetrahydro- are: (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): 16.64; (5)ACD/KOC (pH 7.4): 17.89; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 29.85 Å2; (10)Index of Refraction: 1.689; (11)Molar Refractivity: 35.15 cm3; (12)Molar Volume: 92 cm3; (13)Surface Tension: 54.4 dyne/cm; (14)Density: 1.33 g/cm3; (15)Flash Point: 129.3 °C; (16)Enthalpy of Vaporization: 52.95 kJ/mol; (17)Boiling Point: 290.2 °C at 760 mmHg; (18)Vapour Pressure: 0.0021 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cnn2c1NCCC2
(2) InChI: InChI=1/C6H9N3/c1-3-7-6-2-4-8-9(6)5-1/h2,4,7H,1,3,5H2
(3) InChIKey: HJFZVTDRWQVFDN-UHFFFAOYAT