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102259-69-8 | 1,3-Propanediamine, N,N-diethyl-N'-(6-nitro-4-quinolinyl)-, phosphate (1:2) (9CI)
CAS No: 102259-69-8 Catalog No: AG000718 MDL No:
Product Description
Catalog Number:
AG000718
Chemical Name:
1,3-Propanediamine, N,N-diethyl-N'-(6-nitro-4-quinolinyl)-, phosphate (1:2) (9CI)
CAS Number:
102259-69-8
IUPAC Name:
N',N'-diethyl-N-(6-nitroquinolin-4-yl)propane-1,3-diamine;phosphoric acid
InChI:
InChI=1S/C16H22N4O2.2H3O4P/c1-3-19(4-2)11-5-9-17-16-8-10-18-15-7-6-13(20(21)22)12-14(15)16;2*1-5(2,3)4/h6-8,10,12H,3-5,9,11H2,1-2H3,(H,17,18);2*(H3,1,2,3,4)
InChI Key:
DWTLCNMQCCTGIV-UHFFFAOYSA-N
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
498.128g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
498.366g/mol
Monoisotopic Mass:
498.128g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
230A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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