2- (2-Phenylethynyl) aniline

CAT: 0127-OR958600-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR958600-01Size:100 mg

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CAS Number

13141-38-3

MDL Number

MFCD00168849

Purity

95%

Smiles

Nc1ccccc1C#Cc2ccccc2

Chemical Information

2-(2-Phenylethynyl)aniline

CAS Number	13141-38-3
PubChem CID	1211370
IUPAC Name	2-(2-phenylethynyl)aniline
Molecular Formula	C14H11N
Molecular Weight	193.24
XLogP	3.3
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	251

SMILES

C1=CC=C(C=C1)C#CC2=CC=CC=C2N

InChI

InChI=1S/C14H11N/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,15H2

InChIKey

BZDTZZOSIAUOBS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13141-38-3

CID: 1211370

Formula: C14H11N

MW: 193.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	193.24
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	193.089149355
Monoisotopic Mass	193.089149355
Topological Polar Surface Area	26 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	251
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC1008495-01	4-Fluoro-2- (phenylethynyl) aniline
OR1082285	4-methyl-2- (phenylethynyl) aniline
OR1025443-01	3- (Phenylethynyl) Aniline
OR1053833-01	2- (Phenylethynyl) phenol
OR1098062	2- (Phenylethynyl) benzonitrile
OR1082212-01	α- (2-Phenylethynyl) cyclohexanemethanol
OR1098809-01	α- (2-Phenylethynyl) cyclopropanemethanol
OR315658	2- (Phenylethynyl) pyridine
OR958562-01	2- (Phenylethynyl) benzaldehyde
OR1094514-01	α- (2-Phenylethynyl) cyclopentanemethanol

Catalog	Name
GTR19254195-01	2- (phenylethynyl) aniline
BCA62444-01	3- (phenylethynyl) aniline
TRC-P246276-500MG	4-(Phenylethynyl)aniline
PPA36078-01	2- (Bromomethyl) aniline
CS-M-02876	2- (Methylthio) aniline
MBA07318	2- (Methylsulfonamido) aniline
HGC52018-01	2- (Diethylphosphoryl) aniline
414395-01	2- (Trifluoromethoxy) aniline
RG-E140654-01	2- (propylsulfonyl) aniline
sc-340229A	2- (cyclopentylsulfonyl) aniline