CAS No.1188264-99-4,tert-Butyl 2-(1-methyl-1H-pyrazol-4-yl)ethylcarbamate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1188264-99-4
Name:	tert-Butyl 2-(1-methyl-1H-pyrazol-4-yl)ethylcarbamate

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