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CAS No.: | 329351-43-1 |
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Name: | 3-Amino-4-carboxamidopyrazolium hydrogen sulfate |
Molecular Structure: | |
Formula: | C4H8N4O5S |
Molecular Weight: | 224.20 |
Synonyms: | 5-Amino-1H-pyrazole-4-carboxamide sulfate (1:1);1H-Pyrazole-4-carboxamide, 3-amino-, sulfate (2:1);Sulfuric acid 1H-Pyrazole-4-carboxamide, 3-amino-; |
Melting Point: | 225-227 °C |
Boiling Point: | 454.3 °C at 760 mmHg |
Flash Point: | 228.5 °C |
Appearance: | Beige solid |
PSA: | 182.49000 |
LogP: | 0.33310 |
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The 3-Amino-4-carboxamidopyrazolium hydrogen sulfate with CAS registry number of 329351-43-1 is also known as Sulfuric acid 1H-Pyrazole-4-carboxamide, 3-amino-. The systematic name is 5-Amino-1H-pyrazole-4-carboxamide sulfate (1:1). It belongs to product categories of Heterocyclic Compounds; Aromatics; Heterocycles. In addition, the formula is C4H8N4O5S and the molecular weight is 224.20.
Physical properties about 3-Amino-4-carboxamidopyrazolium hydrogen sulfate are: (1)ACD/LogP: -1.03; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 41.37Å2; (11)Flash Point: 228.5 °C; (12)Enthalpy of Vaporization: 71.38 kJ/mol; (13)Boiling Point: 454.3 °C at 760 mmHg; (14)Vapour Pressure: 1.93E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: O=C(N)c1cnnc1N.O=S(=O)(O)O
2. InChI: InChI=1/C4H6N4O.H2O4S/c5-3-2(4(6)9)1-7-8-3;1-5(2,3)4/h1H,(H2,6,9)(H3,5,7,8);(H2,1,2,3,4)
3. InChIKey: RHMSRJURIHDMNK-UHFFFAOYAX
4. Std. InChI: InChI=1S/C4H6N4O.H2O4S/c5-3-2(4(6)9)1-7-8-3;1-5(2,3)4/h1H,(H2,6,9)(H3,5,7,8);(H2,1,2,3,4)
5. Std. InChIKey: RHMSRJURIHDMNK-UHFFFAOYSA-N