2-Bromomelatonin supplier | CasNO.142959-59-9

Name
2-Bromomelatonin
EINECS 604-604-1
CAS No. 142959-59-9
Article Data5
CAS DataBase
Density 1.455 g/cm³
Solubility
Melting Point 138-140 °C
Formula C₁₃H₁₅BrN₂O₂
Boiling Point 556.8 °C at 760 mmHg
Molecular Weight 311.178
Flash Point 290.5 °C
Transport Information
Appearance yellow solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-Acetyl-2-bromo-5-methoxytryptamine;NSC 674637;UCM 412;Acetamide,N-[2-(2-bromo-5-methoxy-1H-indol-3-yl)ethyl]-;
PSA 54.12000
LogP 3.00850

2-Bromomelatonin Specification

The 2-Bromomelatonin, with the CAS registry number 142959-59-9, is also known as Acetamide, N-[2-(2-bromo-5-methoxy-1H-indol-3-yl)ethyl]-. It belongs to the product categories of Agro Products; Agonist. This chemical's molecular formula is C₁₃H₁₅BrN₂O₂ and molecular weight is 311.17. What's more, its IUPAC name is N-[2-(2-Bromo-5-methoxy-1H-indol-3-yl)ethyl]acetamide. Besides, 2-Bromomelatonin is a melatonin agonist with high affinity for chicken brain membrane melatonin receptors (Ki=0.031nM) in a comptetition radioligand binding assay using 2-[¹²⁵I]iodomelatonin.

Physical properties about 2-Bromomelatonin are: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.73; (4)ACD/LogD (pH 7.4): 1.73; (5)ACD/BCF (pH 5.5): 12.24; (6)ACD/BCF (pH 7.4): 12.24; (7)ACD/KOC (pH 5.5): 209.11; (8)ACD/KOC (pH 7.4): 209.11; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 34.47 Å²; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 75.33 cm³; (15)Molar Volume: 213.8 cm³; (16)Polarizability: 29.86×10^-24 cm³; (17)Surface Tension: 49.4 dyne/cm; (18)Density: 1.455 g/cm³; (19)Flash Point: 290.5 °C; (20)Enthalpy of Vaporization: 83.85 kJ/mol; (21)Boiling Point: 556.8 °C at 760 mmHg; (22)Vapour Pressure: 1.96E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NCCc2c1cc(OC)ccc1nc2Br)C
(2) InChI: InChI=1/C13H15BrN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
(3) InChIKey: FNHLXIXCQDGUCQ-UHFFFAOYAC

Product Name

2-Bromomelatonin

2-Bromomelatonin Specification

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