chempirical

4-tert-Butylpyridine

C9H13NCAS 3978-81-2135.21 g/mol

Open in Covalent MOL file
N

Properties

Molecular formula
C9H13N
Molar mass
135.21 g/mol
Exact mass
135.1048 Da
Melting point
−41 °C
Boiling point
196.5 °C
logP
2.38Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
3978-81-2
SMILES
CC(C)(C)c1ccncc1
InChIKey
YSHMQTRICHYLGF-UHFFFAOYSA-N
InChI
InChI=1S/C9H13N/c1-9(2,3)8-4-6-10-7-5-8/h4-7H,1-3H3

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Names and synonyms

6 names
  • Pyridine, 4-(1,1-dimethylethyl)-
  • Pyridine, 4-tert-butyl-
  • 4-(1,1-Dimethylethyl)pyridine
  • 4-t-Butylpyridine
  • p-tert-Butylpyridine
  • NSC 5104

Work with 4-tert-Butylpyridine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Di-tert-butylbenzene1012-72-261 % similar 4,4′-Bis(1,1-dimethylethyl)-1,1′-biphenyl1625-91-852 % similar tert-Butylbenzene98-06-652 % similar 4-tert-Butylthiophenol2396-68-152 % similar 4-(Trifluoromethyl)pyridine3796-24-548 % similar 4-tert-Butyltoluene98-51-148 % similar 1-tert-Butyl-4-iodobenzene35779-04-546 % similar 1-Chloro-4-(1,1-dimethylethyl)benzene3972-56-346 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-Ethyl-M-toluidine102-27-2 3,4-Dimethylbenzenemethanamine102-48-7 Dimethylbenzylamine103-83-3 Dimethyl-M-toluidine121-72-2 2,4,5-Trimethylaniline137-17-7 Ethylbenzylamine14321-27-8 2-Propylaniline1821-39-2 (αS)-N,α-Dimethylbenzenemethanamine19131-99-8

Elsewhere

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