4-[(2-Aminoethyl)carbamoyl]-3-methoxybenzene-1-sulfonic acid

Base Information

• Chemical Name: 4-[(2-Aminoethyl)carbamoyl]-3-methoxybenzene-1-sulfonic acid
• CAS No.: 919772-12-6
• Molecular Formula: C10H14N2O5S
• DSSTox Substance ID: DTXSID00581420
• Wikidata: Q82472557

Synonyms:919772-12-6;DTXSID00581420;4-[(2-Aminoethyl)carbamoyl]-3-methoxybenzene-1-sulfonic acid

Chemical Property of 4-[(2-Aminoethyl)carbamoyl]-3-methoxybenzene-1-sulfonic acid

Chemical Property:

• XLogP3: -3.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 274.06234272
• Heavy Atom Count: 18
• Complexity: 378

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)S(=O)(=O)O)C(=O)NCCN

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