Product Name

  • Name

    2-[(4-amino-2-butoxybenzoyl)oxy]-N,N-diethylethanaminium chloride

  • EINECS
  • CAS No. 15016-15-6
  • Density g/cm3
  • Solubility
  • Melting Point
  • Formula C17H28 N2 O3 . x Cl H
  • Boiling Point 446.9°Cat760mmHg
  • Molecular Weight 344.93
  • Flash Point 224.1°C
  • Transport Information
  • Appearance
  • Safety Poison by subcutaneous and intravenous routes. Used as a local anesthetic. When heated to decomposition it emits toxic fumes of NOx and HCl.
  • Risk Codes
  • Molecular Structure Molecular Structure of 15016-15-6 (2-[(4-amino-2-butoxybenzoyl)oxy]-N,N-diethylethanaminium chloride)
  • Hazard Symbols
  • Synonyms Benzoicacid, 4-amino-2-butoxy-, 2-(diethylamino)ethyl ester, hydrochloride (7CI,8CI)
  • PSA
  • LogP

Sympocaine hydrochloride Chemical Properties

Molecule structure of Sympocaine hydrochloride (CAS NO.15016-15-6) :

IUPAC Name: 2-(4-amino-2-butoxybenzoyl)oxyethyl-diethylazanium chloride 
Molecular Weight: 344.87676 g/mol
Molecular Formula: C17H29ClN2O3 
Boiling Point: 446.9 °C at 760 mmHg
Flash Point: 224.1 °C
Enthalpy of Vaporization: 70.51 kJ/mol
Vapour Pressure: 3.51E-08 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 5
Rotatable Bond Count: 11
Tautomer Count: 2
Exact Mass: 344.186671
MonoIsotopic Mass: 344.186671
Topological Polar Surface Area: 66
Heavy Atom Count: 23
Complexity: 308
Canonical SMILES: CCCCOC1=C(C=CC(=C1)N)C(=O)OCC[NH+](CC)CC.[Cl-]
InChI: InChI=1S/C17H28N2O3.ClH/c1-4-7-11-21-16-13-14(18)8-9-15(16)17(20)22-12-10-19(5-2)6-3;/h8-9,13H,4-7,10-12,18H2,1-3H3;1H
InChIKey of Sympocaine hydrochloride (CAS NO.15016-15-6) : DCZJQMPBINFCEC-UHFFFAOYSA-N

Sympocaine hydrochloride Toxicity Data With Reference

1.    

scu-mus LD50:100 mg/kg

     APFRAD    Annales Pharmaceutiques Francaises. 40 (1982),133.
2.    

ivn-mus LD50:4019 µg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 104 (1952),40.

Sympocaine hydrochloride Safety Profile

Poison by subcutaneous and intravenous routes. Used as a local anesthetic. When heated to decomposition it emits toxic fumes of NOx and HCl.

Sympocaine hydrochloride Specification

 Sympocaine hydrochloride (CAS NO.15016-15-6) is also called 4-Amino-2-butoxy-benzoic acid 2-(diethylamino)ethyl ester hydrochloride ; Benzoic acid, 4-amino-2-butoxy-, 2-(diethylamino)ethyl ester, monohydrochloride ; Benzoic acid, 4-amino-2-butoxy-, 2-(diethylamino)ethyl ester, hydrochloride .

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