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Substance Name: 1-Benzyl-3-pyrrolidone
RN: 5291-77-0
InChIKey: LVUQCTGSDJLWCE-UHFFFAOYSA-N

Molecular Formula

  • C11-H13-N-O

Molecular Weight

  • 175.23
 
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Names and Synonyms

Synonym

  • EINECS 226-131-5

Systematic Name

  • 1-Benzyl-3-pyrrolidone

Registry Numbers

CAS Registry Number

  • 5291-77-0

System Generated Number

  • 0005291770

Structure Descriptors

InChI

1S/C11H13NO/c13-11-7-4-8-12(11)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2

InChIKey

LVUQCTGSDJLWCE-UHFFFAOYSA-N

Smiles

O=C1CCCN1Cc1ccccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.25 (none)   EXP
Water Solubility 4970 mg/L 25 EST
Vapor Pressure 1.22E-04 mm Hg 25 EST
Henry's Law Constant 2.55E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.01E-11 cm3/molecule-sec 25 EST

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