4'-Diethylaminophenyl acetylene

C₁₂H₁₅NCAS 41876-70-4173.26 g/mol

Open in Covalent MOL file

Alkyne Tertiary amine

Properties

Molecular formula: C₁₂H₁₅N
Molar mass: 173.26 g/mol
Exact mass: 173.1204 Da
logP: 2.51Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Warning

H319 Causes serious eye irritation100% of notifiers

Aggregated from 42 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

41876-70-4

SMILES

CCN(CC)C1=CC=C(C=C1)C#C

InChIKey

CBCACOCJKPPSMS-UHFFFAOYSA-N

InChI

InChI=1S/C12H15N/c1-4-11-7-9-12(10-8-11)13(5-2)6-3/h1,7-10H,5-6H2,2-3H3

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Names and synonyms

1 names

N,N-Diethyl-4-ethynylaniline

Work with 4'-Diethylaminophenyl acetylene

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

Tris(4-ethynylphenyl)amine189178-09-456 % similar 4-Ethynyl-N,N-dimethylaniline17573-94-355 % similar N,N-Diethyl-p-toluidine613-48-952 % similar 4-Bromo-N,N-diethylbenzenamine2052-06-450 % similar 1-Ethyl-4-ethynylbenzene40307-11-750 % similar Diethylaniline91-66-750 % similar Color developing agent 193-05-050 % similar 1,4-Diethynylbenzene935-14-850 % similar

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

Same formula

1,3,3-Trimethyl-2-methyleneindoline118-12-7 2,2,4-Trimethyl-1,2-dihydroquinoline147-47-7 2-(1,1-Dimethylethyl)-1H-indole1805-65-8 2,3,3,5-Tetramethyl-3H-indole25981-82-2 2,2,4-Trimethyl-1,2-dihydroquinoline polymer26780-96-1 (4-tert-Butylphenyl)acetonitrile3288-99-1 1-Benzyl-1,2,3,6-tetrahydropyridine40240-12-8 Julolidine479-59-4

Elsewhere

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