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124959-58-6 | 1,3-Propanediamine, N1-(3-aminopropyl)-N3-(4,6-di-2-thienyl-2-pyrimidinyl)-N1-methyl-
CAS No: 124959-58-6 Catalog No: AG000MX1 MDL No:
Product Description
Catalog Number:
AG000MX1
Chemical Name:
1,3-Propanediamine, N1-(3-aminopropyl)-N3-(4,6-di-2-thienyl-2-pyrimidinyl)-N1-methyl-
CAS Number:
124959-58-6
Molecular Formula:
C19H25N5S2
Molecular Weight:
387.5653
IUPAC Name:
N'-[3-[(4,6-dithiophen-2-ylpyrimidin-2-yl)amino]propyl]-N'-methylpropane-1,3-diamine
InChI:
InChI=1S/C19H25N5S2/c1-24(10-4-8-20)11-5-9-21-19-22-15(17-6-2-12-25-17)14-16(23-19)18-7-3-13-26-18/h2-3,6-7,12-14H,4-5,8-11,20H2,1H3,(H,21,22,23)
InChI Key:
WVNGZWDGAWCHDB-UHFFFAOYSA-N
SMILES:
NCCCN(CCCNc1nc(cc(n1)c1cccs1)c1cccs1)C
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.155g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
387.564g/mol
Monoisotopic Mass:
387.155g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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