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119184-15-5 | 1,2-Ethanediamine, N2-(4,6-di-2-thienyl-2-pyrimidinyl)-N1,N1-dimethyl-, hydrobromide (1:2)
CAS No: 119184-15-5 Catalog No: AG000IAI MDL No:
Product Description
Catalog Number:
AG000IAI
Chemical Name:
1,2-Ethanediamine, N2-(4,6-di-2-thienyl-2-pyrimidinyl)-N1,N1-dimethyl-, hydrobromide (1:2)
CAS Number:
119184-15-5
Molecular Formula:
C16H20Br2N4S2
Molecular Weight:
492.2948
IUPAC Name:
N-(4,6-dithiophen-2-ylpyrimidin-2-yl)-N',N'-dimethylethane-1,2-diamine
InChI:
InChI=1S/C16H18N4S2/c1-20(2)8-7-17-16-18-12(14-5-3-9-21-14)11-13(19-16)15-6-4-10-22-15/h3-6,9-11H,7-8H2,1-2H3,(H,17,18,19)
InChI Key:
BGOGHNWIVJZOSC-UHFFFAOYSA-N
SMILES:
CN(CCNc1nc(cc(n1)c1cccs1)c1cccs1)C.Br.Br
NSC Number:
619010
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.097g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.468g/mol
Monoisotopic Mass:
330.097g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
97.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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