4-Phenyl-1-butyne

C10H10CAS 16520-62-0130.19 g/mol

Open in Covalent MOL file
Alkyne

Properties

Molecular formula
C10H10
Molar mass
130.19 g/mol
Exact mass
130.0783 Da
logP
2.25Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
16520-62-0
SMILES
C#CCCC1=CC=CC=C1
InChIKey
QDEOKXOYHYUKMS-UHFFFAOYSA-N
InChI
InChI=1S/C10H10/c1-2-3-7-10-8-5-4-6-9-10/h1,4-6,8-9H,3,7H2

Weigh it out

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

Work with 4-Phenyl-1-butyne

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

5-Phenyl-1-pentyne1823-14-977 % similar Benzenepropanenitrile645-59-054 % similar Bibenzyl103-29-750 % similar 1,3-Diphenylpropane1081-75-048 % similar Benzenebutanenitrile2046-18-646 % similar (2-Propyn-1-yloxy)benzene13610-02-143 % similar Dibenzylamine103-49-142 % similar Pargyline hydrochloride306-07-041 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(E)-1-Phenyl-1,3-butadiene16939-57-4 2-Methylindene2177-47-1 1-Ethyl-4-ethynylbenzene40307-11-7 Dialin447-53-0 1,4-Dihydronaphthalene612-17-9 1-Phenyl-1-butyne622-76-4 4-Vinylbenzocyclobutene99717-87-0

Elsewhere

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