chempirical

Durene

C10H14CAS 95-93-2134.22 g/mol

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Properties

Molecular formula
C10H14
Molar mass
134.22 g/mol
Exact mass
134.1096 Da
Melting point
79.3 °C
Boiling point
196.8 °C
logP
2.92Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)

Aggregated from 298 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P273, P280, P370+P378, P501

Identifiers

CAS number
95-93-2
SMILES
Cc1cc(C)c(C)cc1C
InChIKey
SQNZJJAZBFDUTD-UHFFFAOYSA-N
InChI
InChI=1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3

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Names and synonyms

8 names
  • Benzene, 1,2,4,5-tetramethyl-
  • p-Xylene, 2,5-dimethyl-
  • 1,2,4,5-Tetramethylbenzene
  • Durol
  • NSC 6770
  • S 150
  • Xinhe S 150
  • SJB

Reactions

Work with Durene

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

2,4,5-Trimethylaniline137-17-760 % similar Pentamethylbenzene700-12-957 % similar 1-Bromo-2,4,5-trimethylbenzene5469-19-256 % similar 4,5-Dimethyl-1,2-phenylenediamine3171-45-753 % similar 2,5-Dimethyl-P-phenylenediamine6393-01-753 % similar 2,3-Dimethylnaphthalene581-40-850 % similar 1,5-Dibromo-2,4-dimethylbenzene615-87-250 % similar 2,4,5-Trimethylbenzaldehyde5779-72-647 % 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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