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Substance Name: Quinuclidine
RN: 100-76-5
UNII: XFX99FC5VI
InChIKey: SBYHFKPVCBCYGV-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C7-H13-N

Molecular Weight

  • 111.187
 
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Names and Synonyms

Name of Substance

  • Quinuclidine

Synonyms

  • 1,4-Ethanopiperidine
  • 1,4-Ethylenepiperidine
  • EINECS 202-887-1
  • UNII-XFX99FC5VI

Systematic Names

  • 1-Azabicyclo(2.2.2)octane
  • Quinuclidine

Registry Numbers

CAS Registry Number

  • 100-76-5

FDA UNII

  • XFX99FC5VI

System Generated Number

  • 0000100765

Structure Descriptors

InChI

1S/C7H13N/c1-4-8-5-2-7(1)3-6-8/h7H,1-6H2

InChIKey

SBYHFKPVCBCYGV-UHFFFAOYSA-N

Smiles

C12CCN(CC1)CC2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 70700ug/kg (70.7mg/kg) LIVER: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

KIDNEY, URETER, AND BLADDER: OTHER CHANGES
National Technical Information Service. Vol. OTS0534531,
rat LCLo inhalation 2050ppm/9M (2050ppm) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0534531,
rat LD50 oral 81200ug/kg (81.2mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LIVER: OTHER CHANGES
National Technical Information Service. Vol. OTS0534531,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 158 deg C   EXP
pKa Dissociation Constant 10.95 (none)   EXP
log P (octanol-water) 1.38 (none)   EXP
Water Solubility 7.28E+04 mg/L 25 EST
Vapor Pressure 1.91 mm Hg 25 EXP
Henry's Law Constant 2.21E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.59E-11 cm3/molecule-sec 25 EST

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