Aminoguanidinium sulphate (1068-42-4)

The Aminoguanidinium sulphate, with the CAS registry number 1068-42-4 and EINECS registry number 213-945-0, has the systematic name of (diaminomethylidene)hydrazinium hydrogen sulfate. It belongs to the product category of Pharmaceutical Intermediates. And the molecular formula of the chemical is CH₆N₄^.H₂SO₄.

The characteristics of this chemical are as followings: (1)ACD/LogP: -1.50; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.5; (4)ACD/LogD (pH 7.4): -3.49; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 18.84 Å² ; (13)Flash Point: 111.9 °C; (14)Enthalpy of Vaporization: 49.92 kJ/mol; (15)Boiling Point: 261.4 °C at 760 mmHg; (16)Vapour Pressure: 0.0116 mmHg at 25°C.

Uses of Aminoguanidinium sulphate: It can react with isonicotinic acid to produce 5-pyridin-4-yl-1H-[1,2,4]triazol-3-ylamine. The reaction time is 2 hours with temperature of 210°C, and the yield is about 90%. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-]S(=O)(=O)O.N(=C(/N)N)\[NH3+]
(2)InChI: InChI=1/CH6N4.H2O4S/c2-1(3)5-4;1-5(2,3)4/h4H2,(H4,2,3,5);(H2,1,2,3,4)
(3)InChIKey: XLONNWGCEFSFTN-UHFFFAOYAL