2,6-Di-tert-butylpyridine
Properties
- Molecular formula
- C13H21N
- Molar mass
- 191.32 g/mol
- Exact mass
- 191.1674 Da
- Melting point
- 2.2 °C
- Boiling point
- 100–101 °C
- logP
- 3.68Crippen 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 irritation97.7% of notifiers
Aggregated from 43 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
585-48-8SMILES
CC(C)(C)c1cccc(C(C)(C)C)n1InChIKey
UWKQJZCTQGMHKD-UHFFFAOYSA-NInChI
InChI=1S/C13H21N/c1-12(2,3)10-8-7-9-11(14-10)13(4,5)6/h7-9H,1-6H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Pyridine, 2,6-bis(1,1-dimethylethyl)-
- Pyridine, 2,6-di-tert-butyl-
- 2,6-Bis(1,1-dimethylethyl)pyridine
- NSC 175805
- 2,6-Ditert-butylpyridine
Work with 2,6-Di-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
2-Bromo-6-tert-butylpyridine195044-14-567 % similar
2,6-Di-tert-butyl-4-methylpyridine38222-83-250 % similar
2,6-Bis(trifluoromethyl)pyridine455-00-548 % similar
2,4,6-Tri-tert-butylpyrimidine67490-21-546 % similar
1,3-Di-tert-butylbenzene1014-60-443 % similar
tert-Butylbenzene98-06-639 % similar
2-(6-Bromopyridin-2-yl)propan-2-ol638218-78-739 % similar
2,6-Di-tert-butylphenol128-39-238 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.