InChI: | InChI=1/C9H14N4.2ClH/c1-4-11-9(12-5-1)13-8-2-6-10-7-3-8;;/h1,4-5,8,10H,2-3,6-7H2,(H,11,12,13);2*1H |
Specification: |
The CAS register number of Piperidin-4-yl-pyrimidin-2-yl-amine dihydrochloride is 63260-58-2. It also can be called as 2-pyrimidinamine, N-4-piperidinyl-, hydrochloride (1:2) and the systematic name about this chemical is N-(piperidin-4-yl)pyrimidin-2-amine dihydrochloride. The molecular formula about this chemical is C9H14N4.2(HCl) and the molecular weight is 251.16.
Physical properties about Piperidin-4-yl-pyrimidin-2-yl-amine dihydrochloride are: (1)ACD/LogP: 0.42; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 49.84Å2; (10)Flash Point: 196.4 °C; (11)Enthalpy of Vaporization: 66.49 kJ/mol; (12)Boiling Point: 401.2 °C at 760 mmHg; (13)Vapour Pressure: 7.91E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.n1cccnc1NC2CCNCC2
(2)InChI: InChI=1/C9H14N4.2ClH/c1-4-11-9(12-5-1)13-8-2-6-10-7-3-8;;/h1,4-5,8,10H,2-3,6-7H2,(H,11,12,13);2*1H ; (3)InChIKey: BGEYIUJJXHLUPW-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C9H14N4.2ClH/c1-4-11-9(12-5-1)13-8-2-6-10-7-3-8;;/h1,4-5,8,10H,2-3,6-7H2,(H,11,12,13);2*1H
(5)Std. InChIKey: BGEYIUJJXHLUPW-UHFFFAOYSA-N
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