Hexylcaine

Base Information

• Chemical Name: Hexylcaine
• CAS No.: 532-77-4
• Molecular Formula: C16H23 N O2
• Molecular Weight: 261.364
• Hs Code.: 2922199090
• UNII: 511IU0826Z
• DSSTox Substance ID: DTXSID1047863
• Nikkaji Number: J38.383J
• Wikipedia: Hexylcaine
• Wikidata: Q5749095
• NCI Thesaurus Code: C65852
• Pharos Ligand ID: WD2ADLF52PMU
• Metabolomics Workbench ID: 42820
• ChEMBL ID: CHEMBL1197
• Mol file: 532-77-4.mol

Synonyms:hexylcaine;hexylcaine hydrochloride

Chemical Property of Hexylcaine

Chemical Property:

• Vapor Pressure: 3.86E-06mmHg at 25°C
• Boiling Point: 385.3°Cat760mmHg
• Flash Point: 186.8°C
• PSA: 38.33000
• Density: 1.05g/cm³
• LogP: 3.54510
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 261.172878976
• Heavy Atom Count: 19
• Complexity: 268

Purity/Quality:

98%Min ^*data from raw suppliers

Hexylcaine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Human systemic effects.
• Hazard Codes: Human systemic effects.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CNC1CCCCC1)OC(=O)C2=CC=CC=C2
• Uses: Hexylcaine is an intermediate in the synthesis of Hexylcaine Hydrochloride which is used in pain management in as an antifungal agent. Anaesthetic.
• Therapeutic Function: Local anesthetic