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Substance Name: 4-Benzylpyridine
RN: 2116-65-6
UNII: 1P29GQM0OH
InChIKey: DBOLXXRVIFGDTI-UHFFFAOYSA-N

Note

  • A potent inducer of hepatic microsomal cytochrome P450; dose- and sex-dependent effects.

Molecular Formula

  • C12-H11-N

Molecular Weight

  • 169.226
 
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Names and Synonyms

Name of Substance

  • 4-Benzylpyridine

Synonyms

  • 4-Benzylpyridine
  • 5-20-07-00561 (Beilstein Handbook Reference)
  • AI3-19229
  • Ba 33216
  • BRN 0115831
  • EINECS 218-319-0
  • gamma-Benzylpyridine
  • NSC 8075
  • UNII-1P29GQM0OH

Systematic Names

  • 4-Benzylpyridine
  • Pyridine, 4-(phenylmethyl)-
  • Pyridine, 4-benzyl-

Registry Numbers

CAS Registry Number

  • 2116-65-6

FDA UNII

  • 1P29GQM0OH

System Generated Number

  • 0002116656

Structure Descriptors

InChI

InChI=1S/C12H11N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-9H,10H2

InChIKey

DBOLXXRVIFGDTI-UHFFFAOYSA-N

Smiles

C(c1ccccc1)c2ccncc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 18mg/kg (18mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
mouse LD50 intravenous 25mg/kg (25mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12240,
mouse LD50 oral 630uL/kg (0.63mL/kg) BEHAVIORAL: TREMOR

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0570988,
rat LD50 oral 560uL/kg (0.56mL/kg) SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
National Technical Information Service. Vol. OTS0570988,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 12.4 deg C   EXP
Boiling Point 288 deg C   EXP
pKa Dissociation Constant 5.59 (none) 25 EXP
log P (octanol-water) 2.62 (none)   EXP
Water Solubility 7160 mg/L 25 EST
Vapor Pressure 3.02E-03 mm Hg 25 EST
Henry's Law Constant 6.28E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.70E-12 cm3/molecule-sec 25 EST

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