5-Pyrimidinecarbonitrile,4-amino-2-(1-piperidinyl)- (90973-23-2)

The CAS register number of 4-Amino-2-(1-piperidinyl)pyrimidine-5-carbonitrile is 90973-23-2. It also can be called as 5-Pyrimidinecarbonitrile,4-amino-2-(1-piperidinyl)- and the systematic name about this chemical is 4-amino-2-piperidin-1-ylpyrimidine-5-carbonitrile. It belongs to the following product categories, such as Building Blocks, Heterocyclic Building Blocks, Pyrimidines and so on.

Physical properties about 4-Amino-2-(1-piperidinyl)pyrimidine-5-carbonitrile are: (1)ACD/LogP: 1.26; (2)ACD/LogD (pH 5.5): 0.58; (3)ACD/LogD (pH 7.4): 1.24; (4)ACD/BCF (pH 5.5): 1.11; (5)ACD/BCF (pH 7.4): 5.07; (6)ACD/KOC (pH 5.5): 23.95; (7)ACD/KOC (pH 7.4): 109.82; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 56.05Ų; (12)Index of Refraction: 1.615; (13)Molar Refractivity: 55.52 cm³; (14)Molar Volume: 158.9 cm³; (15)Polarizability: 22.01x10^-24cm³; (16)Surface Tension: 74.8 dyne/cm; (17)Enthalpy of Vaporization: 71.71 kJ/mol; (18)Boiling Point: 457.1 °C at 760 mmHg; (19)Vapour Pressure: 1.54E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cnc(nc1N)N2CCCCC2
(2)InChI: InChI=1/C10H13N5/c11-6-8-7-13-10(14-9(8)12)15-4-2-1-3-5-15/h7H,1-5H2,(H2,12,13,14)
(3)InChIKey: DIMBMIZSLPVIKY-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C10H13N5/c11-6-8-7-13-10(14-9(8)12)15-4-2-1-3-5-15/h7H,1-5H2,(H2,12,13,14)
(5)Std. InChIKey: DIMBMIZSLPVIKY-UHFFFAOYSA-N