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Substance Name: 3,5-Piperidinedicarbonitrile, 4-butyl-2,6-dioxo-4-methyl-
RN: 64635-92-3
InChIKey: CBZUMPOKTUVIOS-UHFFFAOYSA-N

Molecular Formula

  • C12-H15-N3-O2

Molecular Weight

  • 233.27
 
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Names and Synonyms

Synonyms

  • 0-22-00-00357 (Beilstein Handbook Reference)
  • 2,4-Dicyano-3-butyl-3-methylglutarimide
  • BRN 0227515
  • Glutarimide, 2,4-dicyano-3-butyl-3-methyl-

Systematic Name

  • 3,5-Piperidinedicarbonitrile, 4-butyl-2,6-dioxo-4-methyl-

Registry Numbers

CAS Registry Number

  • 64635-92-3

System Generated Number

  • 0064635923

Structure Descriptors

InChI

1S/C12H15N3O2/c1-3-4-5-12(2)8(6-13)10(16)15-11(17)9(12)7-14/h8-9H,3-5H2,1-2H3,(H,15,16,17)

InChIKey

CBZUMPOKTUVIOS-UHFFFAOYSA-N

Smiles

N#C[C@@H]1C(=O)NC(=O)[C@@H](C1(CCCC)C)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 423mg/kg (423mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: ATAXIA
Biomedica Biochimica Acta. Vol. 44, Pg. 795, 1985.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.860 (none)   EST
Water Solubility 1600 mg/L 14 EXP
Atmospheric OH Rate Constant 1.05E-11 cm3/molecule-sec 25 EST

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