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Name |
1H-Indole-3-acetamide,5-bromo- |
EINECS | N/A |
CAS No. | 196081-79-5 | Density | 1.668 g/cm3 |
PSA | 58.88000 | LogP | 2.65850 |
Solubility | N/A | Melting Point |
290?°C (dec.) |
Formula | C10H9BrN2O | Boiling Point | 517.5 °C at 760 mmHg |
Molecular Weight | 253.098 | Flash Point | 266.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 36 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Bromoindole-3-acetamide;2-(5-Bromo-1H-indol-3-yl)acetamide; |
Article Data | 5 |
The 1H-Indole-3-acetamide,5-bromo-, with the CAS registry number 196081-79-5, is also known as 5-Bromoindole-3-acetamide. It belongs to the product category of Indoles and Derivatives. This chemical's molecular formula is C10H9BrN2O and molecular weight is 253.10. What's more, its systematic name is 2-(5-bromo-1H-indol-3-yl)acetamide.
Physical properties of 1H-Indole-3-acetamide,5-bromo- are: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.23; (4)ACD/LogD (pH 7.4): 1.23; (5)ACD/BCF (pH 5.5): 5.07; (6)ACD/BCF (pH 7.4): 5.07; (7)ACD/KOC (pH 5.5): 111.31; (8)ACD/KOC (pH 7.4): 111.31; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 25.24 Å2; (13)Index of Refraction: 1.711; (14)Molar Refractivity: 59.33 cm3; (15)Molar Volume: 151.6 cm3; (16)Polarizability: 23.52×10-24cm3; (17)Surface Tension: 65.7 dyne/cm; (18)Density: 1.668 g/cm3; (19)Flash Point: 266.8 °C; (20)Enthalpy of Vaporization: 78.98 kJ/mol; (21)Boiling Point: 517.5 °C at 760 mmHg; (22)Vapour Pressure: 8.18E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc2c(cc1)ncc2CC(=O)N
(2)Std. InChI: InChI=1S/C10H9BrN2O/c11-7-1-2-9-8(4-7)6(5-13-9)3-10(12)14/h1-2,4-5,13H,3H2,(H2,12,14)
(3)Std. InChIKey: DVPBWLLOGOINDW-UHFFFAOYSA-N