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| CAS No.: | 628703-61-7 |
|---|---|
| Name: | 5-[(AMinooxy)Methyl]-2-(1H-pyrazol-1-yl)pyridine |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C9H10N4O |
| Molecular Weight: | 190.20 |
| Synonyms: | Hydroxylamine,O-[[6-(1H-pyrazol-1-yl)-3-pyridinyl]methyl]-; |
| EINECS: | 1312995-182-4 |
| Density: | 1.321 g/cm3 |
| Boiling Point: | 395.993 °C at 760 mmHg |
| Flash Point: | 193.29 °C |
| PSA: | 65.96000 |
| LogP: | 1.35790 |
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- Total:23 Page 1 of 1 1
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Specification
The Pyridine, 5-[(aminooxy)methyl]-2-(1H-pyrazol-1-yl)-, with the CAS registry number 628703-61-7, is also known as Hydroxylamine,O-[[6-(1H-pyrazol-1-yl)-3-pyridinyl]methyl]-. This chemical's molecular formula is C9H10N4O and molecular weight is 190.20. What's more, its systematic name is called 5-[(Aminooxy)methyl]-2-(1H-pyrazol-1-yl)pyridine.
Physical properties about Pyridine, 5-[(aminooxy)methyl]-2-(1H-pyrazol-1-yl)- are: (1)ACD/LogP: 0.953; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.94; (4)ACD/LogD (pH 7.4): 0.95; (5)ACD/BCF (pH 5.5): 3.04; (6)ACD/BCF (pH 7.4): 3.12; (7)ACD/KOC (pH 5.5): 76.65; (8)ACD/KOC (pH 7.4): 78.56; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 65.96 Å2; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 52.29 cm3; (15)Molar Volume: 143.93 cm3; (16)Polarizability: 20.729×10-24cm3; (17)Surface Tension: 55.143 dyne/cm; (18)Density: 1.321 g/cm3; (19)Flash Point: 193.29 °C; (20)Enthalpy of Vaporization: 64.623 kJ/mol; (21)Boiling Point: 395.993 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: n1cc(ccc1n2nccc2)CON
(2) InChI: InChI=1S/C9H10N4O/c10-14-7-8-2-3-9(11-6-8)13-5-1-4-12-13/h1-6H,7,10H2
(3) InChIKey: GHOSFAKZZYSFCX-UHFFFAOYSA-N