Phenylguanidine carbonate salt (14018-90-7)

The Phenylguanidine carbonate salt with the cas number 14018-90-7 is also called N-Phenyl guanidine Carbonate. Its molecular formula is C₈H₁₁N₃O₃. This chemical belongs to the following product categories: (1)Guanidines; (2)Nitrogen Compounds; (3)Organic Building Blocks. It is white crystal. It can be used for producting pesticide intermediate.

The properties of the chemical are: (1)# of Rule of 5 Violations: 1  ; (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: 6; (7)#H bond donors: 6; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 119.43Ų; (10)Enthalpy of Vaporization: 72.1 kJ/mol; (11)Vapour Pressure: 4.1×10^-8 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N=C(N)Nc1ccccc1.OC(O)=O
(2)InChI: InChI=1/C7H9N3.CH2O3/c8-7(9)10-6-4-2-1-3-5-6;2-1(3)4/h1-5H,(H4,8,9,10);(H2,2,3,4)
(3)InChIKey: XDSYAIICRRZSJX-UHFFFAOYAQ