Acetamide,N-[2-(2-bromo-1H-indol-3-yl)ethyl]- supplier

Name
N-[2-(2-BROMO-1H-INDOL-3-YL)ETHYL]ACETAMIDE
EINECS
CAS No. 156997-99-8
Density 1.481 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₃BrN₂O
Boiling Point 530.7 °C at 760 mmHg
Molecular Weight 281.15
Flash Point 274.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms [(2-Bromo-indol-3-yl)ethyl]-acetamide;N-[2-(2-Bromo-1h-indol-3-yl)ethyl]acetamide;
PSA 44.89000
LogP 2.99990

Acetamide,N-[2-(2-bromo-1H-indol-3-yl)ethyl]- Specification

The Acetamide,N-[2-(2-bromo-1H-indol-3-yl)ethyl]- with CAS registry number of 156997-99-8 is also known as [(2-Bromo-indol-3-yl)ethyl]-acetamide. Its systematic name is N-[2-(2-Bromo-1h-indol-3-yl)ethyl]acetamide. In addition, the formula is C₁₂H₁₃BrN₂O and the molecular weight is 281.15.

Physical properties about Acetamide,N-[2-(2-bromo-1H-indol-3-yl)ethyl]- are: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 24; (6)ACD/BCF (pH 7.4): 24; (7)ACD/KOC (pH 5.5): 338.54; (8)ACD/KOC (pH 7.4): 338.54; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.89Å²; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 68.65 cm³; (15)Molar Volume: 189.8 cm³; (16)Polarizability: 27.21×10^-24cm³; (17)Surface Tension: 52.2 dyne/cm; (18)Density: 1.481 g/cm³; (19)Flash Point: 274.7 °C; (20)Enthalpy of Vaporization: 80.6 kJ/mol; (21)Boiling Point: 530.7 °C at 760 mmHg; (22)Vapour Pressure: 2.41E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: CC(=O)NCCc1c2ccccc2nc1Br
2. InChI: InChI=1/C12H13BrN2O/c1-8(16)14-7-6-10-9-4-2-3-5-11(9)15-12(10)13/h2-5,15H,6-7H2,1H3,(H,14,16)
3. InChIKey: VWROPIZBUMLVHL-UHFFFAOYAK
4. Std. InChI: InChI=1S/C12H13BrN2O/c1-8(16)14-7-6-10-9-4-2-3-5-11(9)15-12(10)13/h2-5,15H,6-7H2,1H3,(H,14,16)
5. Std. InChIKey: VWROPIZBUMLVHL-UHFFFAOYSA-N

Product Name

N-[2-(2-BROMO-1H-INDOL-3-YL)ETHYL]ACETAMIDE

Acetamide,N-[2-(2-bromo-1H-indol-3-yl)ethyl]- Specification

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