Benzoic acid, 2-(dimethylamino)-, 2-methylpropyl ester

Base Information

• Chemical Name: Benzoic acid, 2-(dimethylamino)-, 2-methylpropyl ester
• CAS No.: 68480-21-7
• Molecular Formula: C13H19NO2
• Molecular Weight: 221.29546
• European Community (EC) Number: 270-898-9
• UNII: 62564VZ8AZ
• DSSTox Substance ID: DTXSID7071571
• Nikkaji Number: J326.646J
• Wikidata: Q81999259
• Mol file: 68480-21-7.mol

Synonyms:isobutyl 2-(dimethylamino)benzoate;2-Methylpropyl 2-(dimethylamino)benzoate;68480-21-7;Benzoic acid, 2-(dimethylamino)-, 2-methylpropyl ester;62564VZ8AZ;EINECS 270-898-9;UNII-62564VZ8AZ;SCHEMBL8835408;DTXSID7071571;AKOS030239983;2-(Dimethylamino)benzoic acid 2-methylpropyl ester

Chemical Property of Benzoic acid, 2-(dimethylamino)-, 2-methylpropyl ester

Chemical Property:

• Vapor Pressure: 0.000667mmHg at 25°C
• Boiling Point: 308.8°C at 760 mmHg
• PKA: 3.71±0.18(Predicted)
• Flash Point: 108.8°C
• PSA: 78.90000
• Density: 1.028g/cm³
• LogP: 10.62370
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 221.141578849
• Heavy Atom Count: 16
• Complexity: 226

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)COC(=O)C1=CC=CC=C1N(C)C