The 3-(2-Aminoethyl)pyridine hydrochloride is an organic compound with the formula C7H10N2.HCl. The systematic name of this chemical is 2-(pyridin-3-yl)ethanaminium chloride. With the CAS registry number 84359-16-0, it is also named as 2-(Pyridin-3-yl)ethanamine hydrochloride (1:1). In addition, the molecular weight is 158.63.
The other characteristics of 3-(2-Aminoethyl)pyridine hydrochloride can be summarized as: (1)# of Rule of 5 Violations: 0; (2)ACD/LogD (pH 5.5): -3; (3)ACD/LogD (pH 7.4): -2; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 38.91 Å2; (12)Flash Point: 112.8 °C; (13)Enthalpy of Vaporization: 46.54 kJ/mol; (14)Boiling Point: 228.8 °C at 760 mmHg; (15)Vapour Pressure: 0.0719 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:[Cl-].[NH3+]CCc1cccnc1
2. InChI:InChI=1/C7H10N2.ClH/c8-4-3-7-2-1-5-9-6-7;/h1-2,5-6H,3-4,8H2;1H
3. InChIKey:HQVIIDSDPBHPBD-UHFFFAOYAB
4. Std. InChI:InChI=1S/C7H10N2.ClH/c8-4-3-7-2-1-5-9-6-7;/h1-2,5-6H,3-4,8H2;1H
5. Std. InChIKey:HQVIIDSDPBHPBD-UHFFFAOYSA-N
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