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Substance Name: Benzenesulfonic acid, 3-amino-4-methyl-
RN: 618-03-1
InChIKey: DTNODBHGOLWROS-UHFFFAOYSA-N

Molecular Formula

  • C7-H9-N-O3-S

Molecular Weight

  • 187.218
 
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Names and Synonyms

Synonyms

  • 1-Amino-2-methyl-5-benzenesulfonic acid
  • 2-Amino-4-toluenesulfonic acid
  • 3-Amino-4-methylbenzenesulfonic acid
  • 3-Amino-p-toluenesulfonic acid
  • Benzenesulfonic acid, 3-amino-4-methyl-
  • EINECS 210-540-0
  • NSC 7922
  • p-Toluenesulfonic acid, 3-amino-

Systematic Names

  • 2-Aminotoluene-4-sulphonic acid
  • Benzenesulfonic acid, 3-amino-4-methyl-

Registry Numbers

CAS Registry Number

  • 618-03-1

System Generated Number

  • 0000618031

Structure Descriptors

InChI

1S/C7H9NO3S/c1-5-2-3-6(4-7(5)8)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)

InChIKey

DTNODBHGOLWROS-UHFFFAOYSA-N

Smiles

O=S(=O)(O)c1ccc(c(N)c1)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -1.530 (none)   EST
Water Solubility 1.74E+04 mg/L 17 EXP
Atmospheric OH Rate Constant 2.85E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.