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159644-79-8 | 2-Propyn-1-amine, 3,3'-[2,2'-bipyridine]-6,6'-diylbis[N,N-dimethyl- (9CI)
CAS No: 159644-79-8 Catalog No: AG001R95 MDL No:
Product Description
Catalog Number:
AG001R95
Chemical Name:
2-Propyn-1-amine, 3,3'-[2,2'-bipyridine]-6,6'-diylbis[N,N-dimethyl- (9CI)
CAS Number:
159644-79-8
Molecular Formula:
C20H22N4
Molecular Weight:
318.4155
IUPAC Name:
3-[6-[6-[3-(dimethylamino)prop-1-ynyl]pyridin-2-yl]pyridin-2-yl]-N,N-dimethylprop-2-yn-1-amine
InChI:
InChI=1S/C20H22N4/c1-23(2)15-7-11-17-9-5-13-19(21-17)20-14-6-10-18(22-20)12-8-16-24(3)4/h5-6,9-10,13-14H,15-16H2,1-4H3
InChI Key:
HXFXDFFJRYUYCK-UHFFFAOYSA-N
SMILES:
CN(CC#Cc1cccc(n1)c1cccc(n1)C#CCN(C)C)C
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.184g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.424g/mol
Monoisotopic Mass:
318.184g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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