2-Methylaminoethyl Benzoate, 4-Methylbenzenesulfonic Acid
[CAS# 6299-40-7]

Identification

• Name: 2-Methylaminoethyl Benzoate, 4-Methylbenzenesulfonic Acid
• Synonyms: Benzoic Acid 2-Methylaminoethyl Ester; 4-Methylbenzenesulfonic Acid; Nsc44658
• Molecular Formula: C₁₇H₂₁NO₅S
• Molecular Weight: 351.42
• CAS Registry Number: 6299-40-7
• SMILES: C1=CC(=CC=C1[S](O)(=O)=O)C.C2=C(C=CC=C2)C(OCCNC)=O
• InChI: 1S/C10H13NO2.C7H8O3S/c1-11-7-8-13-10(12)9-5-3-2-4-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,11H,7-8H2,1H3;2-5H,1H3,(H,8,9,10)
• InChIKey: XUMPOHMDFHVJRM-UHFFFAOYSA-N

Properties

• Boiling point: 276.5°C at 760 mmHg (Cal.)
• Flash point: 121°C (Cal.)