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Substance Name: Methyl 4-aminobenzoate
RN: 619-45-4
InChIKey: LZXXNPOYQCLXRS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H9-N-O2

Molecular Weight

  • 151.1641
 
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Names and Synonyms

Name of Substance

  • Methyl 4-aminobenzoate

Synonyms

  • 4-(Carbomethoxyl)aniline
  • 4-(Methoxycarbonyl)aniline
  • 4-14-00-01128 (Beilstein Handbook Reference)
  • 4-Aminobenzoic acid methyl ester
  • 4-Carbomethoxyaniline
  • AI3-02437
  • BRN 0775913
  • EINECS 210-598-7
  • Methyl 4-aminobenzoate
  • Methyl aniline-4-carboxylate
  • Methyl p-aminobenzoate
  • NSC 3783
  • p-(Methoxycarbonyl)aniline
  • p-Aminobenzoic acid methyl ester

Systematic Names

  • Benzoic acid, 4-amino-, methyl ester
  • Benzoic acid, p-amino-, methyl ester
  • Methyl 4-aminobenzoate

Registry Numbers

CAS Registry Number

  • 619-45-4

Related Registry Numbers

  • 63450-84-0 (hydrochloride)
  • 83763-44-4 (sulfate (2:1))

System Generated Number

  • 0000619454

Structure Descriptors

InChI

1S/C8H9NO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,9H2,1H3

InChIKey

LZXXNPOYQCLXRS-UHFFFAOYSA-N

Smiles

COC(=O)c1ccc(cc1)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 237mg/kg (237mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 900, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 110-111 deg C   EXP
pKa Dissociation Constant 2.47 (none) 25 EXP
log P (octanol-water) 1.37 (none)   EXP
Water Solubility 3820 mg/L 37 EXP
Vapor Pressure 6.86E-03 mm Hg 25 EST
Henry's Law Constant 1.23E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.48E-11 cm3/molecule-sec 25 EST

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