chempirical

2-Biphenylacetonitrile

C14H11NCAS 19853-10-2193.25 g/mol

Open in Covalent MOL file
N
Nitrile

Properties

Molecular formula
C14H11N
Molar mass
193.25 g/mol
Exact mass
193.0891 Da
logP
3.42Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
19853-10-2
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2CC#N
InChIKey
WVYPDPJNPRIPPW-UHFFFAOYSA-N
InChI
InChI=1S/C14H11N/c15-11-10-13-8-4-5-9-14(13)12-6-2-1-3-7-12/h1-9H,10H2

Weigh it out

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

Work with 2-Biphenylacetonitrile

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

o-Phenylenediacetonitrile613-23-063 % similar 1,2-Benzenediacetonitrile613-73-063 % similar (2-Bromophenyl)acetonitrile19472-74-352 % similar [1,1′-Biphenyl]-2-methanol2928-43-052 % similar 2-Methylphenylacetonitrile22364-68-750 % similar (2-Chlorophenyl)acetonitrile2856-63-550 % similar 2-Aminobenzeneacetonitrile2973-50-450 % similar 2-Fluorobenzeneacetonitrile326-62-550 % similar

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

Same formula

2-Cyano-4'-methylbiphenyl114772-53-1 N-Vinylcarbazole1484-13-5 Polyvinylcarbazole25067-59-8 Dibenzazepine256-96-2 4-Biphenylacetonitrile31603-77-7 4′-Methyl[1,1′-biphenyl]-4-carbonitrile50670-50-3 Anthramine610-49-1 9-Methylacridine611-64-3

Elsewhere

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