N,N-diethyl-2-phenylethynamine

HCID 640358

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Basic information

CAS: 4231-26-9
Standard SMILES: CCN(C#Cc1ccccc1)CC
InChIKey: UUQMJSGFWLACFD-UHFFFAOYSA-N
Molecular formula: C12H15N
Average molar mass: 173.25 g/mol
Monoisotopic mass: 173.12044948

Names & identifiers

Preferred name: N,N-diethyl-2-phenylethynamine
IUPAC: N,N-diethyl-2-phenylethynamine

Names & synonyms

N,N-diethyl-2-phenylethynamine4231-26-9ethynamine, N,N-diethyl-2-phenyl-N,N-diethyl-2-phenylacetylenamineDIETHYL(2-PHENYLETHYNYL)AMINESCHEMBL10699281DTXSID103487231-(diethylamino)-2-phenylacetyleneN,N-Diethyl-2-phenylethyn-1-amineAKOS006308981EN300-6498157InChI=1/C12H15N/c1-3-13(4-2)11-10-12-8-6-5-7-9-12/h5-9H,3-4H2,1-2H

Database identifiers

CAS: 4231-26-9
PubChem CID: 640358
DTXSID: DTXSID10348723
Nikkaji: J678.341D

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 186

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