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| CAS No.: | 20284-78-0 |
|---|---|
| Name: | Galegine sulfate |
| Molecular Structure: | |
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| Formula: | C6H15N3O4S |
| Molecular Weight: | 352.458 |
| Synonyms: | (3-Methyl-2-butenyl)guanidine sulfate; GUANIDINE, (3-METHYL-2-BUTENYL)-, SULFATE; Galegine, sulfate |
| Boiling Point: | 220.2 °C at 760 mmHg |
| Flash Point: | 87 °C |
| PSA: | 144.88000 |
| LogP: | 2.05460 |
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Specification
This chemical is called 2-(3-Methylbut-2-enyl)guanidine; sulfuric acid, and its systematic name is 2-(3-methylbut-2-en-1-yl)guanidine sulfate (1:1). With the molecular formula of C6H15N3O4S, its molecular weight is 225.266. The CAS registry number of this chemical is 20284-78-0.
Other characteristics of the 2-(3-Methylbut-2-enyl)guanidine; sulfuric acid can be summarised as followings: (1)ACD/LogP: 0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.09; (4)ACD/LogD (pH 7.4): -1.09; (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: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.84 Å2; (13)Flash Point: 87 °C; (14)Enthalpy of Vaporization: 45.66 kJ/mol; (15)Boiling Point: 220.2 °C at 760 mmHg; (16)Vapour Pressure: 0.114 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(O)O.N(=C(/N)N)\C\C=C(/C)C
2.InChI: InChI=1/C6H13N3.H2O4S/c1-5(2)3-4-9-6(7)8;1-5(2,3)4/h3H,4H2,1-2H3,(H4,7,8,9);(H2,1,2,3,4)
3.InChIKey: IMNZDWZLEPDBAP-UHFFFAOYAW