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Substance Name: Benzoic acid, 2-((2-hydroxyethyl)amino)-
RN: 25784-00-3
InChIKey: KULNOANNPOGHQK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H11-N-O3

Molecular Weight

  • 181.19
 
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Names and Synonyms

Synonyms

  • 2-((2-Hydroxyethyl)amino)benzoic acid
  • 4-14-00-01025 (Beilstein Handbook Reference)
  • BRN 2721181

Systematic Name

  • Benzoic acid, 2-((2-hydroxyethyl)amino)-

Registry Numbers

CAS Registry Number

  • 25784-00-3

System Generated Number

  • 0025784003

Structure Descriptors

InChI

1S/C9H11NO3/c11-6-5-10-8-4-2-1-3-7(8)9(12)13/h1-4,10-11H,5-6H2,(H,12,13)

InChIKey

KULNOANNPOGHQK-UHFFFAOYSA-N

Smiles

OC(=O)c1c(NCCO)cccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2025mg/kg (2025mg/kg)   Farmaco, Edizione Scientifica. Vol. 38, Pg. 847, 1983.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.35 (none)   EXP
Water Solubility 3820 mg/L 25 EST
Vapor Pressure 2.94E-07 mm Hg 25 EST
Henry's Law Constant 4.08E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.12E-11 cm3/molecule-sec 25 EST

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