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Substance Name: Cornecain
RN: 4172-63-8
InChIKey: HMJCMMTUKIJJAL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H24-N2-O3.Cl-H

Molecular Weight

  • 316.827
 
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Names and Synonyms

Results Name

  • Cornecain

Synonyms

  • 3-(Dimethylamino)-2-hydroxypropyl p-(propylamino)benzoate hydrochloride
  • 4-Propylamino-benzoesaeure-gamma-dimethylamino-beta-hydroxy-propylester hydrochloride
  • Cornecain

Systematic Name

  • Benzoic acid, p-(propylamino)-, 3-(dimethylamino)-2-hydroxypropyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 4172-63-8

Other Registry Number

  • 29285-93-6

System Generated Number

  • 0004172638

Molecular Formulas

Molecular Formula

  • C15-H24-N2-O3.Cl-H

Molecular Formula Fragments

  • C15-H24-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H24N2O3.ClH/c1-4-9-16-13-7-5-12(6-8-13)15(19)20-11-14(18)10-17(2)3;/h5-8,14,16,18H,4,9-11H2,1-3H3;1H

InChIKey

HMJCMMTUKIJJAL-UHFFFAOYSA-N

Smiles

c1(C(OC[C@@H](C[NH+](C)C)O)=O)ccc(NCCC)cc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 15mg/kg (15mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 17, Pg. 1491, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -1.52E+00 (none)   EXP
Water Solubility 1.00E+06 mg/L 25 EST
Vapor Pressure 6.48E-14 mm Hg 25 EST
Henry's Law Constant 1.16E-22 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.04E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.