Isobucaine

Base Information

• Chemical Name: Isobucaine
• CAS No.: 14055-89-1
• Molecular Formula: C15H23 N O2
• Molecular Weight: 0
• Hs Code.: 2922199090
• UNII: 2XV8GIV746
• DSSTox Substance ID: DTXSID20161440
• Nikkaji Number: J8.478F
• Wikipedia: Isobucaine
• Wikidata: Q18385208
• NCI Thesaurus Code: C83840
• ChEMBL ID: CHEMBL2111069
• Mol file: 14055-89-1.mol

Synonyms:ISOBUCAINE;14055-89-1;UNII-2XV8GIV746;2XV8GIV746;[2-methyl-2-(2-methylpropylamino)propyl] benzoate;1-Propanol, 2-methyl-2-[(2-methylpropyl)amino]-, benzoate (ester);1-PROPANOL, 2-METHYL-2-((2-METHYLPROPYL)AMINO)-, BENZOATE (ESTER);CHEMBL2111069;DTXSID20161440;[2-Methyl-2-(2-methylpropylamino)propyl]benzoate;Q18385208;1-Propanol, 2-(isobutylamino)-2-methyl-, benzoate (ester);2-(ISOBUTYLAMINO)-2-METHYL-1-PROPANOL BENZOATE (ESTER)

Chemical Property of Isobucaine

Chemical Property:

• Vapor Pressure: 8.82E-05mmHg at 25°C
• Boiling Point: 340.1°C at 760 mmHg
• Flash Point: 159.5°C
• PSA: 38.33000
• Density: 0.989g/cm³
• LogP: 3.25850
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 249.172878976
• Heavy Atom Count: 18
• Complexity: 255

Purity/Quality:

97% ^*data from raw suppliers

ISOBUCAINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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