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Substance Name: 1-Pyrrolidineacetamide, N-(phenylmethyl)-
RN: 42175-93-9
InChIKey: LMRGURFWGRDIIQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-N2-O

Molecular Weight

  • 218.2982
 
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Names and Synonyms

Synonyms

  • BRN 6058168
  • N-(Phenylmethyl)-1-pyrrolidineacetamide

Systematic Name

  • 1-Pyrrolidineacetamide, N-(phenylmethyl)-

Registry Numbers

CAS Registry Number

  • 42175-93-9

System Generated Number

  • 0042175939

Structure Descriptors

InChI

1S/C13H18N2O/c16-13(11-15-8-4-5-9-15)14-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,14,16)

InChIKey

LMRGURFWGRDIIQ-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CNC(=O)CN2CCCC2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 290mg/kg (290mg/kg)   Archiv der Pharmazie Vol. 306, Pg. 310, 1973.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.69 (none)   EXP
Water Solubility 1270 mg/L 25 EST
Vapor Pressure 1.11E-06 mm Hg 25 EST
Henry's Law Constant 1.52E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.02E-10 cm3/molecule-sec 25 EST

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