Cas no 85471-45-0 (D-Alanine, N-[(4-methylphenyl)sulfonyl]-)

D-Alanine, N-[(4-methylphenyl)sulfonyl]- structure
85471-45-0 structure
Product Name:D-Alanine, N-[(4-methylphenyl)sulfonyl]-
CAS No:85471-45-0
MF:C10H13NO4S
MW:243.27952170372
CID:664232
Update Time:2024-01-31

D-Alanine, N-[(4-methylphenyl)sulfonyl]- Chemical and Physical Properties

Names and Identifiers

    • D-Alanine, N-[(4-methylphenyl)sulfonyl]-
    • Inchi: 1S/C10H13NO4S/c1-7-3-5-9(6-4-7)16(14,15)11-8(2)10(12)13/h3-6,8,11H,1-2H3,(H,12,13)/t8-/m1/s1
    • InChI Key: LQXKHFZRJYXXFA-MRVPVSSYSA-N
    • SMILES: C(O)(=O)[C@@H](C)NS(C1=CC=C(C)C=C1)(=O)=O

Experimental Properties

  • Density: 1.319±0.06 g/cm3(Predicted)
  • Melting Point: 134-135 °C(Solv: water (7732-18-5))
  • Boiling Point: 428.9±55.0 °C(Predicted)
  • pka: 3.45±0.10(Predicted)
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