The PER 1 (flame retardant), with the CAS registry number 76930-58-0, is also known as Tetraazanium hydroxy-dioxido-oxo-phosphorane sulfate. This chemical's molecular formula is H17N4O8PS and molecular weight is 264.20. What's more, its systematic name is Ammonium hydrogen phosphate sulfate (4:1:1).
Physical properties of PER 1 (flame retardant) are: (1)ACD/LogP: -2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.41; (4)ACD/LogD (pH 7.4): -6.38; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 76.57 Å2; (11)Boiling Point: 158 °C at 760 mmHg; (12)Vapour Pressure: 1.41 mmHg at 25°C; (13)Covalently-Bonded Unit Count: 6; (14)Complexity: 109; (15)Heavy Atom Count: 14.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: [NH4+].[NH4+].[NH4+].[NH4+].OP(=O)([O-])[O-].[O-]S(=O)(=O)[O-]
(2)InChI: InChI=1S/4H3N.H3O4P.H2O4S/c;;;;2*1-5(2,3)4/h4*1H3;(H3,1,2,3,4);(H2,1,2,3,4)
(3)InChIKey: HLZBNHXIWDQVJI-UHFFFAOYSA-N
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