chempirical

4-Isopropylpyridine

C8H11NCAS 696-30-0121.18 g/mol

Open in Covalent MOL file
N

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

Identifiers

CAS number
696-30-0
SMILES
CC(C)c1ccncc1
InChIKey
FRGXNJWEDDQLFH-UHFFFAOYSA-N
InChI
InChI=1S/C8H11N/c1-7(2)8-3-5-9-6-4-8/h3-7H,1-2H3

Weigh 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 Cumene98-82-852 % similar P-Cymene99-87-648 % similar 1-Iodo-4-isopropylbenzene17356-09-146 % similar 1-Bromo-4-isopropylbenzene586-61-846 % similar 4-Isopropylaniline99-88-746 % similar 4-Isopropylphenol99-89-846 % similar 1,3,5-Triisopropylbenzene717-74-845 % similar

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

Same formula

3-Methylbenzylamine100-81-2 N-Methylbenzylamine103-67-3 N-Ethylaniline103-69-5 4-Methylbenzylamine104-84-7 5-Ethyl-2-methylpyridine104-90-5 3,5-Xylidine108-69-0 2,4,6-Trimethylpyridine108-75-8 4-Propylpyridine1122-81-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook