chempirical

2-Ethylphenyl isocyanate

C9H9NOCAS 40411-25-4147.18 g/mol

Open in Covalent MOL file
NO
Isocyanate

Properties

Molecular formula
C9H9NO
Molar mass
147.18 g/mol
Exact mass
147.0684 Da
logP
2.22Crippen 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
40411-25-4
SMILES
CCC1=CC=CC=C1N=C=O
InChIKey
ZVFNUQWYLXXSJM-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO/c1-2-8-5-3-4-6-9(8)10-7-11/h3-6H,2H2,1H3

Weigh it out

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

Work with 2-Ethylphenyl 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

1-Ethyl-2-isothiocyanatobenzene19241-19-163 % similar 2-Ethyl-6-methylphenyl isocyanate75746-71-356 % similar 2-Methylphenyl isocyanate614-68-653 % similar 2-Ethoxyphenyl isocyanate5395-71-153 % similar 2-Bromophenyl isocyanate1592-00-350 % similar Toluene 2,6-diisocyanate91-08-750 % similar 1-Isocyanato-2-(1-methylethyl)benzene56309-56-949 % similar 2-Methoxyphenyl isocyanate700-87-849 % similar

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

Same formula

5-Methoxyindole1006-94-6 (4-Methoxyphenyl)acetonitrile104-47-2 Indole-4-methanol1074-85-7 1H-Indole-7-methanol1074-87-9 Indole-5-methanol1075-25-8 6-Hydroxymethylindole1075-26-9 3,4-Dihydroisoquinolin-1(2H)-one1196-38-9 2-Methyl-1H-indol-5-ol13314-85-7

Elsewhere

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