2-(Methylamino)ethyl benzoate;4-methylbenzenesulfonic acid

Base Information

• Chemical Name: 2-(Methylamino)ethyl benzoate;4-methylbenzenesulfonic acid
• CAS No.: 6299-40-7
• Molecular Formula: C17H21NO5S
• Molecular Weight: 0
• NSC Number: 44658
• DSSTox Substance ID: DTXSID60286303
• Mol file: 6299-40-7.mol

Synonyms:NSC44658;DTXSID60286303;NSC-44658;4-Methylbenzene-1-sulfonic acid--2-(methylamino)ethyl benzoate (1/1)

Chemical Property of 2-(Methylamino)ethyl benzoate;4-methylbenzenesulfonic acid

Chemical Property:

• Vapor Pressure: 0.00477mmHg at 25°C
• Boiling Point: 276.5°C at 760 mmHg
• Flash Point: 121°C
• PSA: 101.08000
• LogP: 3.77620
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 351.11404394
• Heavy Atom Count: 24
• Complexity: 359

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CNCCOC(=O)C1=CC=CC=C1

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