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Substance Name: Benzoic acid, 4-amino-, pentyl ester
RN: 13110-37-7
InChIKey: VKYWCHMXHQTCJQ-UHFFFAOYSA-N

Molecular Formula

  • C12-H17-N-O2

Molecular Weight

  • 207.271
 
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Names and Synonyms

Synonym

  • AI3-05691

Systematic Name

  • Benzoic acid, 4-amino-, pentyl ester

Registry Numbers

CAS Registry Number

  • 13110-37-7

System Generated Number

  • 0013110377

Structure Descriptors

InChI

1S/C12H17NO2/c1-2-3-4-9-15-12(14)10-5-7-11(13)8-6-10/h5-8H,2-4,9,13H2,1H3

InChIKey

VKYWCHMXHQTCJQ-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 52 deg C   EXP
log P (octanol-water) 3.48 (none)   EXP
Water Solubility 92.6 mg/L 25 EXP
Vapor Pressure 1.35E-04 mm Hg 25 EST
Henry's Law Constant 3.81E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.08E-11 cm3/molecule-sec 25 EST

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