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Substance Name: Benzoic acid, 4-amino-, octyl ester
RN: 14309-41-2
InChIKey: XOEUGELJHSUYGP-UHFFFAOYSA-N

Molecular Formula

  • C15-H23-N-O2

Molecular Weight

  • 249.352
 
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Names and Synonyms

Synonym

  • NSC 522884

Systematic Name

  • Benzoic acid, 4-amino-, octyl ester

Registry Numbers

CAS Registry Number

  • 14309-41-2

System Generated Number

  • 0014309412

Structure Descriptors

InChI

1S/C15H23NO2/c1-2-3-4-5-6-7-12-18-15(17)13-8-10-14(16)11-9-13/h8-11H,2-7,12,16H2,1H3

InChIKey

XOEUGELJHSUYGP-UHFFFAOYSA-N

Smiles

c1(C(OCCCCCCCC)=O)ccc(N)cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 5.02 (none)   EXP
Water Solubility 0.993 mg/L 25 EXP
Vapor Pressure 1.02E-05 mm Hg 25 EST
Henry's Law Constant 8.91E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.50E-11 cm3/molecule-sec 25 EST

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