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Substance Name: 4-tert-Butylpyridine
RN: 3978-81-2
UNII: IL8V02163I
InChIKey: YSHMQTRICHYLGF-UHFFFAOYSA-N

Molecular Formula

  • C9-H13-N

Molecular Weight

  • 135.209
 
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Names and Synonyms

Name of Substance

  • 4-tert-Butylpyridine

Synonyms

  • 4-tert-Butylpyridine
  • AI3-36657
  • EINECS 223-614-2
  • NSC 5104
  • UNII-IL8V02163I

Systematic Names

  • 4-tert-Butylpyridine
  • Pyridine, 4-(1,1-dimethylethyl)-
  • Pyridine, 4-tert-butyl- (8CI)

Registry Numbers

CAS Registry Number

  • 3978-81-2

FDA UNII

  • IL8V02163I

System Generated Number

  • 0003978812

Structure Descriptors

InChI

1S/C9H13N/c1-9(2,3)8-4-6-10-7-5-8/h4-7H,1-3H3

InChIKey

YSHMQTRICHYLGF-UHFFFAOYSA-N

Smiles

c1(ccncc1)C(C)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -4.10E+01 deg C   EXP
Boiling Point 196.5 deg C   EXP
pKa Dissociation Constant 5.99 (none) 25 EXP
log P (octanol-water) 2.710 (none)   EST
Water Solubility 422 mg/L 25 EST
Vapor Pressure 0.972 mm Hg 25 EST
Henry's Law Constant 1.82E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.32E-12 cm3/molecule-sec 25 EST

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