Tris(4-ethynylphenyl)amine

C₂₄H₁₅NCAS 189178-09-4317.39 g/mol

Open in Covalent MOL file

Alkyne Tertiary amine

Properties

Molecular formula: C₂₄H₁₅N
Molar mass: 317.39 g/mol
Exact mass: 317.1204 Da
logP: 5.10Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

189178-09-4

SMILES

C#CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C#C)C3=CC=C(C=C3)C#C

InChIKey

QGICIDGCKPUALM-UHFFFAOYSA-N

InChI

InChI=1S/C24H15N/c1-4-19-7-13-22(14-8-19)25(23-15-9-20(5-2)10-16-23)24-17-11-21(6-3)12-18-24/h1-3,7-18H

Weigh it out

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Work with Tris(4-ethynylphenyl)amine

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-Diethynylbenzene935-14-867 % similar 4-Ethynyl-N,N-dimethylaniline17573-94-363 % similar 4-Chlorophenylacetylene873-73-457 % similar 4'-Diethylaminophenyl acetylene41876-70-456 % similar 4-Ethynylaniline14235-81-550 % similar Phenylacetylene536-74-350 % similar 4-Bromophenylacetylene766-96-150 % similar 4-Methylphenylacetylene766-97-250 % similar

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

Elsewhere

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