4-tert-Butylpyridine
Properties
- Molecular formula
- C9H13N
- Molar mass
- 135.21 g/mol
- Exact mass
- 135.1048 Da
- Density
- 0.915 g/mL (at 25 °C)
- 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
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation95.6% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
3978-81-2SMILES
CC(C)(C)c1ccncc1InChIKey
YSHMQTRICHYLGF-UHFFFAOYSA-NInChI
InChI=1S/C9H13N/c1-9(2,3)8-4-6-10-7-5-8/h4-7H,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
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
4,4'-Di-tert-butyl-2,2'-bipyridine72914-19-352 % similar
4-(Trifluoromethyl)pyridine3796-24-548 % similar
4-tert-Butyltoluene98-51-148 % similar
2-Bromo-4-tert-butylpyridine50488-34-146 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.