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CAS No.: | 996-19-0 |
---|---|
Name: | AMINOGUANIDINE HEMISULFATE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C2H14N8O4S |
Molecular Weight: | 246.25 |
Synonyms: | Di(carbazamidine) sulphate;Guanidine, amino-, sulfate (2:1);Carbonohydrazonic diamide sulfate (2:1);Aminoguanidine hemisulfate salt;Bis(carbamimidoylhydrazinium) sulfate;AC1MC2AZ;HMS3260I21;2-Aminoguanidine; sulfuric acid; |
EINECS: | 213-628-7 |
Density: | 1.36 g/cm3 (20℃) |
Melting Point: | 200 °C |
Boiling Point: | 261.4 °C at 760 mmHg |
Flash Point: | 111.9 °C |
Solubility: | Soluble in water, insoluble in ethanol |
Appearance: | White or colorless crystal |
Safety: | 24/25 |
PSA: | 258.82000 |
LogP: | 0.89680 |
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The Hydrazinecarboximidamide, sulfate (2:1) with CAS registry number of 996-19-0 is also known as Carbonohydrazonic diamide sulfate (2:1). The IUPAC name is 2-Aminoguanidine; sulfuric acid. Its EINECS registry number is 213-628-7. In addition, the formula is C2H14N8O4S and the molecular weight is 246.25. This chemical is a white or colorless crystal and should be sealed in cool, dry place away from heat. What's more, it is used as pharmaceutical intermediate and also can be used for organic synthesis. It is soluble in water but insoluble in ethanol. During using it, avoid contact with skin and eyes.
Physical properties about Hydrazinecarboximidamide, sulfate (2:1) are: (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: 22.08Å2; (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.
Preparation of Hydrazinecarboximidamide, sulfate (2:1): it is prepared by reaction of methyl isothiourea sulfate with hydrazine hydrate. The reaction occurs at the temperature of 10 °C and product is obtained by precipitation and drying. The yield is about 90%.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C(=NN)(N)N.C(=NN)(N)N.OS(=O)(=O)O
2. InChI: InChI=1S/2CH6N4.H2O4S/c2*2-1(3)5-4;1-5(2,3)4/h2*4H2,(H4,2,3,5);(H2,1,2,3,4)
3. InChIKey: VKGQPUZNCZPZKI-UHFFFAOYSA-N