4-Isopropylpyridine
Properties
- Molecular formula
- C8H11N
- Molar mass
- 121.18 g/mol
- Exact mass
- 121.0891 Da
- Melting point
- −54.9 °C
- Boiling point
- 178 °C
- logP
- 2.21Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.6% of notifiers
Aggregated from 41 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
696-30-0SMILES
CC(C)c1ccncc1InChIKey
FRGXNJWEDDQLFH-UHFFFAOYSA-NInChI
InChI=1S/C8H11N/c1-7(2)8-3-5-9-6-4-8/h3-7H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Pyridine, 4-(1-methylethyl)-
- Pyridine, 4-isopropyl-
- 4-(1-Methylethyl)pyridine
Work with 4-Isopropylpyridine
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-Diisopropylbenzene100-18-561 % similar
(R)-(+)-1-(4-Pyridyl)ethanol27854-88-254 % similar
1-(Pyridin-4-yl)ethan-1-amine50392-78-454 % similar
(S)-(-)-1-(4-Pyridyl)ethanol54656-96-154 % similar
4,4'-Diisopropylbiphenyl18970-30-452 % similar
Cumene98-82-852 % similar
(4-Isopropyl)thiophenol4946-14-952 % similar
6-Isopropylisoquinoline790304-84-648 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.