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189951-41-5 | Cyanamide, 2,4-hexadiyne-1,6-diylbis[(4-methylphenyl)- (9CI)
CAS No: 189951-41-5 Catalog No: AG002E6M MDL No:
Product Description
Catalog Number:
AG002E6M
Chemical Name:
Cyanamide, 2,4-hexadiyne-1,6-diylbis[(4-methylphenyl)- (9CI)
CAS Number:
189951-41-5
Molecular Formula:
C22H18N4
Molecular Weight:
338.4051
IUPAC Name:
6-(N-cyano-4-methylanilino)hexa-2,4-diynyl-(4-methylphenyl)cyanamide
InChI:
InChI=1S/C22H18N4/c1-19-7-11-21(12-8-19)25(17-23)15-5-3-4-6-16-26(18-24)22-13-9-20(2)10-14-22/h7-14H,15-16H2,1-2H3
InChI Key:
KBZWCPYULRZAID-UHFFFAOYSA-N
SMILES:
N#CN(c1ccc(cc1)C)CC#CC#CCN(c1ccc(cc1)C)C#N
Properties
Complexity:
616
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.153g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.414g/mol
Monoisotopic Mass:
338.153g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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