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| CAS No.: | 14235-54-2 |
|---|---|
| Name: | 3-[(2-AMINOETHYL)AMINO]PROPANESULFONIC ACID |
| Molecular Structure: | |
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| Formula: | C5H14N2O3S |
| Molecular Weight: | 182.244 |
| Synonyms: | 3-[(2-Aminoethyl)amino]propanesulfonic acid; |
| Density: | 1.282 g/cm3 |
| Melting Point: | 215 °C |
| PSA: | 100.80000 |
| LogP: | 0.98460 |
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The 1-Propanesulfonic acid,3-[(2-aminoethyl)amino]-, with the CAS registry number 14235-54-2, is also known as 3-[(2-Aminoethyl)amino]propanesulfonic acid. This chemical's molecular formula is C5H14N2O3S and molecular weight is 182.2413. Its systematic name is called 3-[(2-aminoethyl)amino]propane-1-sulfonic acid.
Physical properties of 1-Propanesulfonic acid,3-[(2-aminoethyl)amino]-: (1)ACD/LogP: -2.73; (2)ACD/LogD (pH 5.5): -6; (3)ACD/LogD (pH 7.4): -5.29; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 7; (11)Index of Refraction: 1.514; (12)Molar Refractivity: 42.82 cm3; (13)Molar Volume: 142.1 cm3; (14)Surface Tension: 55.5 dyne/cm; (15)Density: 1.282 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)CCCNCCN
(2)InChI: InChI=1/C5H14N2O3S/c6-2-4-7-3-1-5-11(8,9)10/h7H,1-6H2,(H,8,9,10)
(3)InChIKey: JEBGZJNUOUAZNX-UHFFFAOYAV
