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124643-50-1 | Benzenamine, 2-[(3E)-4-phenyl-3-buten-1-yn-1-yl]-
CAS No: 124643-50-1 Catalog No: AG000MI3 MDL No:
Product Description
Catalog Number:
AG000MI3
Chemical Name:
Benzenamine, 2-[(3E)-4-phenyl-3-buten-1-yn-1-yl]-
CAS Number:
124643-50-1
Molecular Formula:
C16H13N
Molecular Weight:
219.2811
IUPAC Name:
2-(4-phenylbut-3-en-1-ynyl)aniline
InChI:
InChI=1S/C16H13N/c17-16-13-7-6-12-15(16)11-5-4-10-14-8-2-1-3-9-14/h1-4,6-10,12-13H,17H2
InChI Key:
DGRZXYUZWBHYMW-UHFFFAOYSA-N
SMILES:
Nc1ccccc1C#C/C=C/c1ccccc1
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.287g/mol
Monoisotopic Mass:
219.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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