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Substance Name: 2H-Azepin-2-one, hexahydro-1-ethyl-
RN: 19797-08-1
InChIKey: GWCFTYITFDWLAY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H15-N-O

Molecular Weight

  • 141.212
 
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Names and Synonyms

Synonyms

  • 2H-Azepin-2-one, 1-ethylhexahydro-
  • 5-21-06-00452 (Beilstein Handbook Reference)
  • BRN 0111499
  • Hexahydro-1-ethyl-2H-azepin-2-one
  • N-Ethyl-epsilon-caprolactam

Systematic Name

  • 2H-Azepin-2-one, hexahydro-1-ethyl-

Registry Numbers

CAS Registry Number

  • 19797-08-1

System Generated Number

  • 0019797081

Structure Descriptors

InChI

1S/C8H15NO/c1-2-9-7-5-3-4-6-8(9)10/h2-7H2,1H3

InChIKey

GWCFTYITFDWLAY-UHFFFAOYSA-N

Smiles

N1(C(CCCCC1)=O)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 550mg/kg (550mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Pharmaceutical Sciences. Vol. 60, Pg. 1058, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.65 (none)   EXP
Water Solubility 2.31E+04 mg/L 25 EST
Vapor Pressure 7.96E-03 mm Hg 25 EST
Henry's Law Constant 7.38E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.19E-11 cm3/molecule-sec 25 EST

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