AG009XSI

13141-38-3 | 2-(phenylethynyl)aniline

AG009XSI

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CAS Number	13141-38-3
Catalog Number	AG009XSI(AGN-PC-0K22I0)
Chemical Name	2-(phenylethynyl)aniline
IUPAC Name	2-(2-phenylethynyl)aniline
InChI	InChI=1S/C14H11N/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,15H2
InChI Key	BZDTZZOSIAUOBS-UHFFFAOYSA-N
MDL Number	MFCD00168849
Molecular Formula	C14H11N
Molecular Weight	193.2438
SMILES	NC1=CC=CC=C1C#CC2=CC=CC=C2
Synonyms	2-Phenylethynyl-phenylamine, 2-(2-phenylethynyl)aniline, 13141-38-3, 2-(phenylethynyl)aniline, UPCMLD00CC-135, MLS000544255, AC1LNZ3V, SCHEMBL929235, 2-(2-phenylethynyl)phenylamine, CHEMBL1565578, KS-00000TBC, BZDTZZOSIAUOBS-UHFFFAOYSA-N, HMS2203D07, HMS3343O05, ZINC983974, UPCMLD00CC-135:002, CMLD4_000166, MFCD00168849, STK006694, AKOS000221756, MCULE-9247225667, NE37234, SDCCGMLS-0091415.P001, NCGC00074310-01, Acetylene, 1-(2-aminophenyl)-2-phenyl-, AK193571, DS-10387, SMR000163894, ST51001925, AI-034/31406014, F2167-5395, Z1318147467, ACN-043601, CID1211370,

Complexity	251
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	193.089g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	193.249g/mol
Monoisotopic Mass	193.089g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number