chempirical

4-Isopropylphenylacetonitrile

C11H13NCAS 4395-87-3159.23 g/mol

Open in Covalent MOL file
N
Nitrile

Properties

Molecular formula
C11H13N
Molar mass
159.23 g/mol
Exact mass
159.1048 Da
logP
2.88Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
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
4395-87-3
SMILES
CC(C)C1=CC=C(C=C1)CC#N
InChIKey
RIPHZOPMCRSGSI-UHFFFAOYSA-N
InChI
InChI=1S/C11H13N/c1-9(2)11-5-3-10(4-6-11)7-8-12/h3-6,9H,7H2,1-2H3

Weigh it out

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Work with 4-Isopropylphenylacetonitrile

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

1,4-Benzenediacetonitrile622-75-363 % similar 4-Methylphenylacetonitrile2947-61-755 % similar 4-Ethylphenylacetonitrile51632-28-155 % similar Benzyl cyanide140-29-452 % similar 1,4-Diisopropylbenzene100-18-550 % similar 4-Benzylphenylacetonitrile101096-72-450 % similar (4-Methoxyphenyl)acetonitrile104-47-250 % similar (4-Chlorophenyl)acetonitrile140-53-450 % similar

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

Same formula

1,2,3,6-Tetrahydro-4-phenylpyridine10338-69-9 2,3,3-Trimethylindolenine1640-39-7 4-Butylbenzonitrile20651-73-4 2,4,6-Trimethylbenzeneacetonitrile34688-71-6 1-Ethyl-2-methyl-1H-indole40876-94-6 4-(1,1-Dimethylethyl)benzonitrile4210-32-6 1-Benzyl-2,5-dihydro-1H-pyrrole6913-92-4

Elsewhere

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