The 1H-Inden-2-amine,5-bromo-2,3-dihydro-, hydrobromide (1:1), also known as 5-Bromoindan-2-amine hydrobromide (1:1), is an organic compound with the formula C9H11Br2N. With the CAS registry number 321352-52-7, its systematic name is 5-bromo-2,3-dihydro-1H-inden-2-aminium bromide.
Physical properties of 1H-Inden-2-amine,5-bromo-2,3-dihydro-, hydrobromide (1:1): (1)ACD/LogP: 2.52; (2)ACD/LogD (pH 7.4): 0.97; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1.37; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 15.82; (7)#H bond acceptors: 1; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Flash Point: 121.2 °C; (11)Enthalpy of Vaporization: 51.54 kJ/mol; (12)Boiling Point: 276.8 °C at 760 mmHg; (13)Vapour Pressure: 0.00469 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Br-].Brc1ccc2c(c1)CC(C2)[NH3+]
(2)InChI: InChI=1/C9H10BrN.BrH/c10-8-2-1-6-4-9(11)5-7(6)3-8;/h1-3,9H,4-5,11H2;1H
(3)InChIKey: WVNGAALXGMXZJI-UHFFFAOYAC
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