2-Hydroxy-3-((1-methylethyl)amino)propyl (4-methylbenzenesulphonate)

Base Information

• Chemical Name: 2-Hydroxy-3-((1-methylethyl)amino)propyl (4-methylbenzenesulphonate)
• CAS No.: 79881-85-9
• Molecular Formula: C13H21 N O4 S
• Molecular Weight: 287.37514
• European Community (EC) Number: 279-332-5
• DSSTox Substance ID: DTXSID201000815
• Nikkaji Number: J320.198H
• Mol file: 79881-85-9.mol

Synonyms:79881-85-9;EINECS 279-332-5;2-Hydroxy-3-((1-methylethyl)amino)propyl (4-methylbenzenesulphonate);SCHEMBL11307770;DTXSID201000815;NS00060968;2-Hydroxy-3-[(1-methylethyl)amino]propyl(4-methylbenzenesulfonate);2-Hydroxy-3-[(propan-2-yl)amino]propyl 4-methylbenzene-1-sulfonate

Chemical Property of 2-Hydroxy-3-((1-methylethyl)amino)propyl (4-methylbenzenesulphonate)

Chemical Property:

• Vapor Pressure: 7.03E-09mmHg at 25°C
• Boiling Point: 449.9°C at 760 mmHg
• Flash Point: 225.9°C
• PSA: 84.01000
• Density: 1.18g/cm³
• LogP: 2.53090
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 287.11912932
• Heavy Atom Count: 19
• Complexity: 342

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC(CNC(C)C)O

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