4-[(2-Methylpiperidin-1-Yl)Sulfonyl]Benzoic Acid
[CAS# 70111-45-4]

Identification

• Name: 4-[(2-Methylpiperidin-1-Yl)Sulfonyl]Benzoic Acid
• Synonyms: 4-[[(2S)-2-Methyl-1-Piperidyl]Sulfonyl]Benzoate; 4-[[(2S)-2-Methyl-1-Piperidinyl]Sulfonyl]Benzoate; Zinc00033305
• Molecular Formula: C₁₃H₁₆NO₄S
• Molecular Weight: 282.33
• CAS Registry Number: 70111-45-4
• SMILES: [C@H]2(N([S](=O)(=O)C1=CC=C(C=C1)C([O-])=O)CCCC2)C
• 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)/p-1/t10-/m0/s1
• InChIKey: IPRANFCJNCZNRN-JTQLQIEISA-M

Properties

• Boiling point: 459.419°C at 760 mmHg (Cal.)
• Flash point: 231.648°C (Cal.)