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Substance Name: Orthocaine
RN: 536-25-4
UNII: JK16YI13QK
InChIKey: VNQABZCSYCTZMS-UHFFFAOYSA-N

Molecular Formula

  • C8-H9-N-O3

Molecular Weight

  • 167.163
 
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Names and Synonyms

Name of Substance

  • Orthocaine

Synonyms

  • 3-14-00-01477 (Beilstein Handbook Reference)
  • 3-Amino-4-hydroxybenzoic acid methyl ester
  • AI3-04738
  • Aminobenz
  • BRN 0608715
  • EINECS 208-627-3
  • Methyl 3-amino-4-hydroxybenzoate
  • Methyl 4-hydroxy-3-aminobenzoate
  • Methyl m-amino-p-hydroxybenzoate
  • NSC 9813
  • Orthocaine
  • Orthoderm
  • Orthoform
  • UNII-JK16YI13QK

Systematic Names

  • Benzoic acid, 3-amino-4-hydroxy-, methyl ester
  • Methyl 3-amino-4-hydroxybenzoate

Registry Numbers

CAS Registry Number

  • 536-25-4

FDA UNII

  • JK16YI13QK

System Generated Number

  • 0000536254

Structure Descriptors

InChI

1S/C8H9NO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,9H2,1H3

InChIKey

VNQABZCSYCTZMS-UHFFFAOYSA-N

Smiles

c1(cc(c(O)cc1)N)C(OC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intraperitoneal 250mg/kg (250mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
dog LDLo oral 1gm/kg (1000mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 143 deg C   EXP
log P (octanol-water) 1.470 (none)   EST
Atmospheric OH Rate Constant 1.79E-11 cm3/molecule-sec 25 EST

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