Phenolphthalein monophosphate dicyclohexylammonium salt (14815-59-9)

The Phenolphthalein monophosphate dicyclohexylammonium salt, with CAS registry number 14815-59-9, belongs to the following product categories: (1)Alkaline Phosphatase; (2)Enzyme Substrates; (3)Substrates by Enzyme. It has the systematic name of 4-[1-(4-hydroxyphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]phenyl dihydrogen phosphate - cyclohexanamine (1:2). And this chemical should be stored at the temperature of 2-8°C.

Physical properties of Phenolphthalein monophosphate dicyclohexylammonium salt: (1)ACD/LogP: 4.12; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 9; (4)#H bond donors: 7; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 96.58 Å²; (7)Enthalpy of Vaporization: 121.01 kJ/mol; (8)Vapour Pressure: 1.54E-26 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Phenolphthalein monophosphate dicyclohexylammonium salt irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: O=P(O)(O)Oc1ccc(cc1)C3(OC(=O)c2ccccc23)c4ccc(O)cc4.NC1CCCCC1.NC1CCCCC1
(2)InChI: InChI=1/C20H15O7P.2C6H13N/c21-15-9-5-13(6-10-15)20(18-4-2-1-3-17(18)19(22)26-20)14-7-11-16(12-8-14)27-28(23,24)25;2*7-6-4-2-1-3-5-6/h1-12,21H,(H2,23,24,25);2*6H,1-5,7H2
(3)InChIKey: HANAZWFQWVNYKU-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C20H15O7P.2C6H13N/c21-15-9-5-13(6-10-15)20(18-4-2-1-3-17(18)19(22)26-20)14-7-11-16(12-8-14)27-28(23,24)25;2*7-6-4-2-1-3-5-6/h1-12,21H,(H2,23,24,25);2*6H,1-5,7H2
(5)Std. InChIKey: HANAZWFQWVNYKU-UHFFFAOYSA-N