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Reference substances

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IUPAC name:
3-[(2-aminoethyl)amino]propane-1-sulfonic acid

Inventory

CAS number:
14235-54-2
Synonyms
Names:
ethane-1,2-diamine-mono-sulfopropylated

Molecular and structural information

Molecular formula:
C5H14N2O3S
Molecular weight:
ca. 182
SMILES notation:
Structure 1 : NCCNCCCS(=O)(=O)O or OS(=O)(=O)CCCNCCN
Structure 2 : O=S(=O)([O-])CCC[NH2+]CCN
Structure 3 : O=S(=O)([O-])CCCNCC[NH3+]












InChl:
InChI=1/C5H14N2O3S/c6-2-4-7-3-1-5-11(8,9)10/h7H,1-6H2,(H,8,9,10)
InChI=1/C5H14N2O3S/c6-2-4-7-3-1-5-11(8,9)10/h7H,1-6H2,(H,8,9,10)/f/h7H
InChI=1/C5H14N2O3S/c6-2-4-7-3-1-5-11(8,9)10/h7H,1-6H2,(H,8,9,10)/f/h6H
Structural formula:
Chemical structure

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