Trisguanidinium phosphate (38848-02-1)

The CAS register number of Trisguanidinium phosphate is 38848-02-1. It also can be called as guanidinium phosphate and the systematic name about this chemical is tris[amino(imino)methanaminium] phosphate. Its molecular formula is C₃H₁₈N₉O₄P and molecular weight is 275.206681.

Physical properties about Trisguanidinium phosphate are: (1) # of Rule of 5 Violations: 2; (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: 13; (7)#H bond donors: 18; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 328.59Ų; (10)Flash Point: 371.7 °C; (11)Enthalpy of Vaporization: 110.34 kJ/mol; (12)Boiling Point: 691 °C at 760 mmHg; (13)Vapour Pressure: 6.51E-21 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: [NH3+]C(N)=N.[O-]P([O-])([O-])=O.[NH3+]C(N)=N.[NH3+]C(N)=N
2.InChI: InChI=1/3CH5N3.H3O4P/c3*2-1(3)4;1-5(2,3)4/h3*(H5,2,3,4);(H3,1,2,3,4)
3.InChIKey: CJFCGSLFEZPBNJ-UHFFFAOYAK
4.Std. InChI: InChI=1S/3CH5N3.H3O4P/c3*2-1(3)4;1-5(2,3)4/h3*(H5,2,3,4);(H3,1,2,3,4)