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| CAS No.: | 911788-33-5 |
|---|---|
| Name: | 1-(1-Methyl-1H-pyrazol-4-yl)ethanamine |
| Molecular Structure: | |
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| Formula: | C6H11N3 |
| Molecular Weight: | 125.173 |
| Synonyms: | 1-(1-METHYL-1H-PYRAZOL-4-YL)ETHANAMINE;AKOS PAO-0519;1-(1-Methyl-1H-pyrazol-4-yl)-ethylamine;1-(1-Methyl-1H-pyrazol-4-yl)ethan-1-amine;1-(1-methyl-1H-pyrazol-4-yl)ethanamine(SALTDATA: FREE);1H-Pyrazole-4-MethanaMine, a,1-diMethyl-;1-(1-Methyl-1H-pyrazol-4-yl)ethanaMine hydrochloride |
| Density: | 1.129 g/cm3 |
| Boiling Point: | 218.245 °C at 760 mmHg |
| Flash Point: | 85.792 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 43.84000 |
| LogP: | 1.14010 |
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- Total:31 Page 1 of 1 1
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Specification
This chemical is called 1-(1-Methyl-1H-pyrazol-4-yl)ethanamine, and its CAS registry number is 911788-33-5. With the molecular formula of C6H11N3, its molecular weight is 125.17. Additionally, its product categories are Building Blocks; Pyrazole.
Other characteristics of the 1-(1-Methyl-1H-pyrazol-4-yl)ethanamine can be summarised as followings: (1)ACD/LogP: 0.43; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 43.84 Å2; (11)Index of Refraction: 1.566; (12)Molar Refractivity: 36.198 cm3; (13)Molar Volume: 110.89 cm3; (14)Polarizability: 14.35×10-24cm3; (15)Surface Tension: 39.058 dyne/cm; (16)Density: 1.129 g/cm3; (17)Flash Point: 85.792 °C; (18)Enthalpy of Vaporization: 45.463 kJ/mol; (19)Boiling Point: 218.245 °C at 760 mmHg; (20)Vapour Pressure: 0.127 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CC(N)c1cnn(C)c1
2.InChI: InChI=1/C6H11N3/c1-5(7)6-3-8-9(2)4-6/h3-5H,7H2,1-2H3
3.InChIKey: KIPVVJYELYMMQA-UHFFFAOYAE