chempirical

1-(1-Isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene

C13H15NOCAS 2094-99-7201.27 g/mol

Open in Covalent MOL file
NO
AlkeneIsocyanate

Properties

Molecular formula
C13H15NO
Molar mass
201.27 g/mol
Exact mass
201.1154 Da
Boiling point
269.5 °C
logP
3.29Crippen estimate
Polar surface area
29.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
2094-99-7
SMILES
C=C(C)c1cccc(C(C)(C)N=C=O)c1
InChIKey
ZVEMLYIXBCTVOF-UHFFFAOYSA-N
InChI
InChI=1S/C13H15NO/c1-10(2)11-6-5-7-12(8-11)13(3,4)14-9-15/h5-8H,1H2,2-4H3

Weigh it out

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

Names and synonyms

18 names · show all
  • Benzene, 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-
  • Isocyanic acid, m-isopropenyl-α,α-dimethylbenzyl ester
  • 3-Isopropenyl-α,α-dimethylbenzyl isocyanate
  • m-TMI
  • TMI
  • m-Isopropenyl-α,α-dimethylbenzyl isocyanate
  • Takenate TMI
  • Meta-TMI
  • Dimethyl-m-isopropenylbenzyl isocyanate
  • m-Isopropenylcumyl isocyanate
  • α,α-Dimethyl-m-isopropenylbenzyl isocyanate
  • Cytec TMI
  • m-Isopropenyldimethylbenzyl isocyanate
  • 3-Isopropenyl-α,α′-dimethylbenzyl isocyanate
  • 1-(1-Isocyanato-1-methylethyl)-3-isopropenylbenzene
  • m-Isoprenyl-α,α′-dimethylbenzyl isocyanate
  • 1-(2-Isocyanatopropan-2-yl)-3-(prop-1-en-2-yl)benzene
  • 1-(2-Isocyanatopropan-2-yl)-3-prop-1-en-2-ylbenzene

Work with 1-(1-Isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene

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

1,3-Diisopropenylbenzene3748-13-850 % similar Alpha-methylstyrene98-83-939 % similar 3-(Trifluoromethyl)phenyl isocyanate329-01-135 % similar 3′-(Trifluoromethyl)acetophenone349-76-834 % similar 1-Chloro-4-(1-methylethenyl)benzene1712-70-533 % similar 1,3-Diisocyanatobenzene123-61-533 % similar 3′-(Trifluoromethyl)acetophenone oxime99705-50-732 % similar 3-Methylphenyl isocyanate621-29-431 % similar

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

Same formula

2-Vinyl-2-oxazoline-styrene copolymer27341-52-2 2-(Formylmethylene)-1,3,3-trimethylindoline84-83-3

Elsewhere

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