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102259-66-5 | 1,2-Ethanediamine, N,N-diethyl-N'-(6-nitro-4-quinolinyl)-, phosphate (1:2) (9CI)
CAS No: 102259-66-5 Catalog No: AG00071A MDL No:
Product Description
Catalog Number:
AG00071A
Chemical Name:
1,2-Ethanediamine, N,N-diethyl-N'-(6-nitro-4-quinolinyl)-, phosphate (1:2) (9CI)
CAS Number:
102259-66-5
Molecular Formula:
C15H24N4O7P2
Molecular Weight:
434.3212
IUPAC Name:
N',N'-diethyl-N-(6-nitroquinolin-4-yl)ethane-1,2-diamine;phosphoric acid
InChI:
InChI=1S/C15H20N4O2.2H3O4P/c1-3-18(4-2)10-9-17-15-7-8-16-14-6-5-12(19(20)21)11-13(14)15;2*1-5(2,3)4/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,17);2*(H3,1,2,3,4)
InChI Key:
BAWIYGPDRGEZMQ-UHFFFAOYSA-N
SMILES:
OP(=O)OP(=O)O.CCN(CCNc1ccnc2c1cc(cc2)[N+](=O)[O-])CC
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
484.112g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
484.339g/mol
Monoisotopic Mass:
484.112g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
230A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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