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205877-26-5 | Benzenamine, 4-ethynyl-N,N-diphenyl-

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CAS Number	205877-26-5
Catalog Number	AG002ADS(AGN-PC-02VWP9)
Chemical Name	Benzenamine, 4-ethynyl-N,N-diphenyl-
IUPAC Name	4-ethynyl-N,N-diphenylaniline
InChI	InChI=1S/C20H15N/c1-2-17-13-15-20(16-14-17)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h1,3-16H
InChI Key	QDYFCLVSLUZDHB-UHFFFAOYSA-N
MDL Number	MFCD09030769
Molecular Formula	C20H15N
Molecular Weight	269.3398
SMILES	C(#C)C1=CC=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1
Synonyms	4-ethynyl-N,N-diphenylaniline, 205877-26-5, 4-Ethynyltriphenylamine, Benzenamine, 4-ethynyl-N,N-diphenyl-, 4-Diphenylaminophenylacetylene, N,N-Diphenyl-4-ethynylaniline, EOS582, SCHEMBL2433973, CTK0J0248, DTXSID50609087, (4-Ethynyl-phenyl)-diphenyl-amine, MFCD09030769, ZINC21989752, AKOS015964383, ACN-049107, N-(4-ethynylphenyl)-N,N-diphenylamine, KS-000015U9, ACM205877265, AS-46703, E0894, -DIPHENYL-AMINE,

Complexity	327
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	269.12g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	269.347g/mol
Monoisotopic Mass	269.12g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	3.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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