4-Piperidinamine,1-(2-pyrimidinyl)- (412355-81-8)

The systematic name of 1-(2-Pyrimidinyl)-4-piperidinamine is 1-Pyrimidin-2-ylpiperidin-4-amine. With the CAS registry number 412355-81-8, it is also named as 4-Piperidinamine, 1-(2-pyrimidinyl)-. The product's category is . In addition, its molecular formula is C₉H₁₄N₄ and its molecular weight is 178.24. 

The other characteristics of 1-(2-Pyrimidinyl)-4-piperidinamine can be summarized as: (1)ACD/LogP: 0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.4; (4)ACD/LogD (pH 7.4): -1.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.12; (9)H bond acceptors: 4; (10)H bond donors: 2; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 32.26 Å²; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 50.8 cm³; (15)Molar Volume: 155.7 cm³; (16)Polarizability: 20.14×10^-24cm³; (17)Surface Tension: 52.7 dyne/cm; (18)Density: 1.144 g/cm³; (19)Flash Point: 159.8 °C; (20)Enthalpy of Vaporization: 58.42 kJ/mol; (21)Boiling Point: 340.6 °C at 760 mmHg; (22)Vapour Pressure: 8.5E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:n1cccnc1N2CCC(N)CC2
(2)InChI:InChI=1/C9H14N4/c10-8-2-6-13(7-3-8)9-11-4-1-5-12-9/h1,4-5,8H,2-3,6-7,10H2
(3)InChIKey:USLXJAKPMUUGPV-UHFFFAOYAV
(4)Std. InChI:InChI=1S/C9H14N4/c10-8-2-6-13(7-3-8)9-11-4-1-5-12-9/h1,4-5,8H,2-3,6-7,10H2
(5)Std. InChIKey:USLXJAKPMUUGPV-UHFFFAOYSA-N