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CAS No.: | 39760-01-5 |
---|---|
Name: | N-[2-(2-METHYL-1H-INDOL-3-YL)ETHYL]ACETAMIDE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C13H16N2O |
Molecular Weight: | 216.283 |
Synonyms: | N-[2-(2-Methyl-1H-indol-3-yl)ethyl]acetamide; |
Density: | 1.138 g/cm3 |
Boiling Point: | 487.8 °C at 760 mmHg |
Flash Point: | 248.8 °C |
PSA: | 48.38000 |
LogP: | 2.99520 |
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The Acetamide, N-[2-(2-methyl-1H-indol-3-yl)ethyl]- has the CAS registry number 39760-01-5. This chemical's molecular formula is C13H16N2O and molecular weight is 216.28. What's more, its systematic name is N-[2-(2-Methyl-1H-indol-3-yl)ethyl]acetamide.
Physical properties of Acetamide, N-[2-(2-methyl-1H-indol-3-yl)ethyl]- are: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.51; (4)ACD/LogD (pH 7.4): 1.51; (5)ACD/BCF (pH 5.5): 8.23; (6)ACD/BCF (pH 7.4): 8.23; (7)ACD/KOC (pH 5.5): 157.32; (8)ACD/KOC (pH 7.4): 157.35; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 25.24 Å2; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 65.79 cm3; (15)Molar Volume: 189.9 cm3; (16)Polarizability: 26.08×10-24 cm3; (17)Surface Tension: 47.1 dyne/cm; (18)Density: 1.138 g/cm3; (19)Flash Point: 248.8 °C; (20)Enthalpy of Vaporization: 75.38 kJ/mol; (21)Boiling Point: 487.8 °C at 760 mmHg; (22)Vapour Pressure: 1.15E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCCc2c1ccccc1nc2C)C
(2)InChI: InChI=1S/C13H16N2O/c1-9-11(7-8-14-10(2)16)12-5-3-4-6-13(12)15-9/h3-6,15H,7-8H2,1-2H3,(H,14,16)
(3)InChIKey: UTHAQSQWEBBVCJ-UHFFFAOYSA-N