Butethamine

Base Information

• Chemical Name: Butethamine
• CAS No.: 2090-89-3
• Molecular Formula: C13H20 N2 O2
• Molecular Weight: 236.314
• UNII: F8E12S0YYS
• DSSTox Substance ID: DTXSID30175053
• Nikkaji Number: J7.322I
• Wikidata: Q27277810
• NCI Thesaurus Code: C83566
• ChEMBL ID: CHEMBL124211
• Mol file: 2090-89-3.mol

Synonyms:BUTETHAMINE;2090-89-3;Monocain;F8E12S0YYS;Ibylcaine;2-(Isobutylamino)ethyl p-aminobenzoate;Isobutylaminoethyl p-aminobenzoate;2-(Isobutylamino)ethanol p-aminobenzoate (ester);Ethanol, 2-(isobutylamino)-, p-aminobenzoate (ester);Ethanol, 2-[(2-methylpropyl)amino]-, 4-aminobenzoate (ester);2-(2-methylpropylamino)ethyl 4-aminobenzoate;2-[(2-Methylpropyl)amino]ethanol 4-aminobenzoate (ester);2-((2-METHYLPROPYL)AMINO)ETHANOL 4-AMINOBENZOATE (ESTER);BUTETHAMINE [MI];UNII-F8E12S0YYS;SCHEMBL24618;BUTETHAMINE [WHO-DD];CHEMBL124211;DTXSID30175053;CHEBI:134959;BDBM50225498;2-(Isobutylamino)ethyl 4-aminobenzoate #;2-[(2-Methylpropyl)amino]ethanol 4-aminobenzoate;Q27277810

Chemical Property of Butethamine

Chemical Property:

• Vapor Pressure: 4.3E-06mmHg at 25°C
• Refractive Index: 1.5430 (estimate)
• Boiling Point: 383.7°Cat760mmHg
• Flash Point: 185.9°C
• PSA: 64.35000
• Density: 1.067g/cm³
• LogP: 2.64330
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 236.152477885
• Heavy Atom Count: 17
• Complexity: 224

Purity/Quality:

BUTETHAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CNCCOC(=O)C1=CC=C(C=C1)N
• Therapeutic Function: Local anesthetic