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| CAS No.: | 1188264-99-4 |
|---|---|
| Name: | tert-Butyl 2-(1-methyl-1H-pyrazol-4-yl)ethylcarbamate |
| Molecular Structure: | |
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| Formula: | C11H19N3O2 |
| Molecular Weight: | 225.29 |
| Synonyms: | tert-Butyl N-[2-(1-methylpyrazol-4-yl)ethyl]carbamate; |
| EINECS: | 604-604-1 |
| Density: | 1.08 g/cm3 |
| Boiling Point: | 365.5 °C at 760 mmHg |
| Flash Point: | 174.8 °C |
| PSA: | 59.64000 |
| LogP: | 1.69170 |
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Specification
The tert-Butyl 2-(1-methyl-1H-pyrazol-4-yl)ethylcarbamate has the CAS registry number 1188264-99-4. This chemical's molecular formula is C11H19N3O2 and molecular weight is 225.29. What's more, its systematic name is tert-butyl N-[2-(1-methylpyrazol-4-yl)ethyl]carbamate.
Physical properties of tert-Butyl 2-(1-methyl-1H-pyrazol-4-yl)ethylcarbamate are: (1)ACD/LogP: 1.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.26; (4)ACD/LogD (pH 7.4): 1.26; (5)ACD/BCF (pH 5.5): 5.31; (6)ACD/BCF (pH 7.4): 5.31; (7)ACD/KOC (pH 5.5): 114.89; (8)ACD/KOC (pH 7.4): 115; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 56.15 Å2; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 62.78 cm3; (15)Molar Volume: 207 cm3; (16)Polarizability: 24.89×10-24cm3; (17)Surface Tension: 36 dyne/cm; (18)Density: 1.08 g/cm3; (19)Flash Point: 174.8 °C; (20)Enthalpy of Vaporization: 61.18 kJ/mol; (21)Boiling Point: 365.5 °C at 760 mmHg; (22)Vapour Pressure: 1.57E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)NCCc1cnn(c1)C
(2)Std. InChI: InChI=1S/C11H19N3O2/c1-11(2,3)16-10(15)12-6-5-9-7-13-14(4)8-9/h7-8H,5-6H2,1-4H3,(H,12,15)
(3)Std. InChIKey: VNJZIYNKZHFKGE-UHFFFAOYSA-N