chempirical

2-Ethyl-6-methylphenyl isocyanate

C10H11NOCAS 75746-71-3161.20 g/mol

Open in Covalent MOL file
NO
Isocyanate

Properties

Molecular formula
C10H11NO
Molar mass
161.20 g/mol
Exact mass
161.0841 Da
logP
2.52Crippen estimate
Polar surface area
29.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
75746-71-3
SMILES
CCC1=CC=CC(=C1N=C=O)C
InChIKey
YMAVXDRFOILNKI-UHFFFAOYSA-N
InChI
InChI=1S/C10H11NO/c1-3-9-6-4-5-8(2)10(9)11-7-12/h4-6H,3H2,1-2H3

Weigh it out

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

Work with 2-Ethyl-6-methylphenyl isocyanate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,6-Dimethylphenyl isocyanate28556-81-268 % similar 2-Ethyl-6-methylphenyl isothiocyanate66609-04-967 % similar 2-Chloro-6-methylphenyl isocyanate40398-01-458 % similar 2-Ethylphenyl isocyanate40411-25-456 % similar 1-Ethyl-2-methylbenzene611-14-348 % similar 2,3-Dimethylphenyl isocyanate1591-99-747 % similar 1-(Isocyanatomethyl)-2-methylbenzene56651-58-247 % similar 2-Ethyl-6-methylaniline24549-06-247 % similar

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

Same formula

5-Ethoxy-1H-indole10501-17-4 5-Methoxy-2-methylindole1076-74-0 1,2,3,4-Tetrahydro-benzo(b)azepin-5-one1127-74-8 4-Phenyl-2-pyrrolidinone1198-97-6 N-Benzylacrylamide13304-62-6 3-(Methylphenylamino)-2-propenal14189-82-3 1-Acetylindoline16078-30-1 2,5,6-Trimethylbenzoxazole19219-98-8

Elsewhere

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