The 4-Iodo-N-isopropylamphetamine hydrochloride, with the CAS registry number of 116316-03-1, is also known as 1-(4-Iodophenyl)-N-isopropylpropan-2-amine hydrochloride (1:1). This chemical's molecular formula is C12H19ClIN and molecular weight is 339.64. What's more, its systematic name is called 1-(4-Iodophenyl)-N-(propan-2-yl)propan-2-amine hydrochloride (1:1). In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 4-Iodo-N-isopropylamphetamine hydrochloride are: (1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.77; (4)ACD/LogD (pH 7.4): 1.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.17; (7)ACD/KOC (pH 5.5): 2.42; (8)ACD/KOC (pH 7.4): 6.99; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 3.24 Å2; (13)Flash Point: 139.8 °C; (14)Enthalpy of Vaporization: 54.82 kJ/mol; (15)Boiling Point: 307.6 °C at 760 mmHg; (16)Vapour Pressure: 0.000718 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Ic1ccc(cc1)CC(NC(C)C)C.Cl
(2) InChI: InChI=1/C12H18IN.ClH/c1-9(2)14-10(3)8-11-4-6-12(13)7-5-11;/h4-7,9-10,14H,8H2,1-3H3;1H
(3) InChIKey: AFLDFEASYWNJGX-UHFFFAOYAQ
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