chempirical

Isobutylbenzene

C10H14CAS 538-93-2134.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C10H14
Molar mass
134.22 g/mol
Exact mass
134.1096 Da
Density
0.854 g/mL (at 20 °C)
Melting point
−51.4 °C
Boiling point
172.7 °C
logP
2.89Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
538-93-2
SMILES
CC(C)Cc1ccccc1
InChIKey
KXUHSQYYJYAXGZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

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Type any one amount. The others follow from the molar mass and density.

Names and synonyms

7 names
  • Benzene, (2-methylpropyl)-
  • Benzene, isobutyl-
  • (2-Methylpropyl)benzene
  • 2-Methyl-1-phenylpropane
  • iso-Butylbenzene
  • NSC 24848
  • i-Butylbenzene

Work with Isobutylbenzene

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

Isopentylbenzene2049-94-761 % similar 1-Phenyl-2-propanol14898-87-456 % similar (S)-1-Phenyl-2-propanol1517-68-656 % similar 1-Bromo-4-(2-methylpropyl)benzene2051-99-256 % similar 2-Bromo-1-phenylpropane2114-39-856 % similar Amphetamine300-62-956 % similar D-Amphetamine51-64-956 % similar 1-Phenyl-2-propanol698-87-356 % similar

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

Same formula

n-Butylbenzene104-51-8 1,4-Diethylbenzene105-05-5 1,2-Diethylbenzene135-01-3 sec-Butylbenzene135-98-8 1,3-Diethylbenzene141-93-5 1,9-Decadiyne1720-38-3 Prehnitene488-23-3 Isodurene527-53-7

Elsewhere

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