Cas no 70111-45-4 (4-(2-Methylpiperidin-1-yl)sulfonylbenzoic Acid)

4-(2-Methylpiperidin-1-yl)sulfonylbenzoic Acid structure
70111-45-4 structure
Product Name:4-(2-Methylpiperidin-1-yl)sulfonylbenzoic Acid
CAS No:70111-45-4
MF:C13H17NO4S
MW:283.34338259697
CID:880974
PubChem ID:2770975
Update Time:2025-04-19

4-(2-Methylpiperidin-1-yl)sulfonylbenzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 4-[(2-methylpiperidin-1-yl)sulfonyl]benzoic acid
    • 4-(2-Methyl-piperidin-1-sulfonyl)-benzoesaeure
    • 4-(2-methyl-piperidine-1-sulfonyl)-benzoic acid
    • 4-[(2-methylpiperidyl)sulfonyl]benzoic acid
    • AC1MCJ95
    • AC1Q2R46
    • AG-G-73664
    • Oprea1_178349
    • Oprea1_640005
    • ST047363
    • TimTec1_003296
    • AKOS000123186
    • 4-(2-methylpiperidin-1-yl)sulfonylbenzoic acid
    • BRD-A75418611-001-01-0
    • EN300-11149
    • 4-(2-methylpiperidine-1-sulfonyl)benzoic acid
    • 70111-45-4
    • 4-[(2-METHYLPIPERIDINO)SULFONYL]BENZOIC ACID
    • DTXSID00377901
    • 4-(2-methyl-piperidine-1-sulfonyl)-benzoic acid, AldrichCPR
    • AKOS016038880
    • 4-((2-Methylpiperidin-1-yl)sulfonyl)benzoic acid
    • 4-((2-Methylpiperidin-1-yl)sulfonyl)benzoicacid
    • HMS1543F18
    • 4-[(2-METHYLPIPERIDIN-1-YL)SULFONYL]BENZOICACID
    • 4-(2-Methylpiperidin-1-yl)sulfonylbenzoic Acid
    • MDL: MFCD01647005
    • Inchi: 1S/C13H17NO4S/c1-10-4-2-3-9-14(10)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8,10H,2-4,9H2,1H3,(H,15,16)
    • InChI Key: IPRANFCJNCZNRN-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(C(=O)O)=CC=1)(N1CCCCC1C)(=O)=O

Computed Properties

  • Exact Mass: 283.08791
  • Monoisotopic Mass: 282.080004
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 415
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 85.9
  • XLogP3: 1.9

Experimental Properties

  • Color/Form: Not available
  • Density: 1.3±0.1 g/cm3
  • Melting Point: 202-204 °C
  • Boiling Point: 459.4±47.0 °C at 760 mmHg
  • Flash Point: 231.6±29.3 °C
  • Refractive Index: 1.571
  • PSA: 74.68
  • Vapor Pressure: 0.0±1.2 mmHg at 25°C

4-(2-Methylpiperidin-1-yl)sulfonylbenzoic Acid Security Information

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