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Substance Name: 2-Piperidone
RN: 675-20-7
UNII: WLN0GQQ6EK
InChIKey: XUWHAWMETYGRKB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H9-N-O

Molecular Weight

  • 99.1321
 
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Names and Synonyms

Name of Substance

  • 2-Piperidone

Synonyms

  • 2-Piperidone
  • 5-Pentanolactam
  • AI3-33342
  • alpha-Piperidone
  • delta-Valerolactam
  • EINECS 211-622-9
  • NSC 18894
  • NSC 2305
  • Pentanoic acid, 5-amino-, lactam
  • Piperidon
  • Piperidon [German]
  • PIPERIDONE,2-
  • Piperidone-2
  • Piperidone-2 [French]
  • UNII-WLN0GQQ6EK
  • Valerolactim

Systematic Names

  • 2-Piperidinone
  • 2-Piperidone

Registry Numbers

CAS Registry Number

  • 675-20-7

FDA UNII

  • WLN0GQQ6EK

System Generated Number

  • 0000675207

Structure Descriptors

InChI

1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7)

InChIKey

XUWHAWMETYGRKB-UHFFFAOYSA-N

Smiles

C1(CCCCN1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo subcutaneous 3gm/kg (3000mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

CARDIAC: OTHER CHANGES
Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 50, Pg. 199, 1903.
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Journal of Pharmaceutical Sciences. Vol. 60, Pg. 1058, 1971.
mouse LD50 intravenous 600mg/kg (600mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 93, Pg. 143, 1953.
rat LD50 intravenous > 3gm/kg (3000mg/kg)   United States Patent Document. Vol. #3380887,
rat LDLo oral 11gm/kg (11000mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
National Technical Information Service. Vol. OTS0571235,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 39.5 deg C   EXP
Boiling Point 256 deg C   EXP
log P (octanol-water) -0.46 (none)   EXP
Water Solubility 2.91E+05 mg/L 25 EST
Vapor Pressure 0.00438 mm Hg 25 EXP
Henry's Law Constant 1.91E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.70E-11 cm3/molecule-sec 25 EST

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