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| CAS No.: | 14034-59-4 |
|---|---|
| Name: | ETHYLENE DIAMINE TOSYLATE |
| Molecular Structure: | |
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| Formula: | C9H16N2O3S |
| Molecular Weight: | 404.508 |
| Synonyms: | Ethane-1,2-diamine 4-methylbenzenesulfonate (1:1); |
| Boiling Point: | 451.2 °C at 760 mmHg |
| Flash Point: | 226.7 °C |
| PSA: | 114.79000 |
| LogP: | 2.62690 |
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- Total:19 Page 1 of 1 1
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Specification
This product is an organic compound with the formula C9H16N2O3S. The IUPAC name of this chemical is Ethane-1,2-diamine; 4-methylbenzenesulfonic acid. With the CAS registry number 14034-59-4, it is also named as Ethane-1,2-diamine; 4-methylbenzenesulfonic acid. In addition, the molecular weight is 232.2999.
Physical properties about this chemical are: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (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: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 51.75 Å2; (11)Flash Point: 226.7 °C; (12)Enthalpy of Vaporization: 74.84 kJ/mol; (13)Boiling Point: 451.2 °C at 760 mmHg; (14)Vapour Pressure: 6.29E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(O)c1ccc(cc1)C.NCCN
(2) InChI: InChI=1/C7H8O3S.C2H8N2/c1-6-2-4-7(5-3-6)11(8,9)10;3-1-2-4/h2-5H,1H3,(H,8,9,10);1-4H2
(3) InChIKey: HVCCFMAPGCBCHZ-UHFFFAOYAU