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145363-53-7 | 1,3-Propanediamine, N1,N1-dimethyl-N3-(8-methyl-5-nitro-4-quinolinyl)-
CAS No: 145363-53-7 Catalog No: AG001KUA MDL No:
Product Description
Catalog Number:
AG001KUA
Chemical Name:
1,3-Propanediamine, N1,N1-dimethyl-N3-(8-methyl-5-nitro-4-quinolinyl)-
CAS Number:
145363-53-7
Molecular Formula:
C15H20N4O2
Molecular Weight:
288.3449
IUPAC Name:
N',N'-dimethyl-N-(8-methyl-5-nitroquinolin-4-yl)propane-1,3-diamine
InChI:
InChI=1S/C15H20N4O2/c1-11-5-6-13(19(20)21)14-12(7-9-17-15(11)14)16-8-4-10-18(2)3/h5-7,9H,4,8,10H2,1-3H3,(H,16,17)
InChI Key:
UQSMDQGHUADVPF-UHFFFAOYSA-N
SMILES:
CN(CCCNc1ccnc2c1c(ccc2C)[N+](=O)[O-])C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.159g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.351g/mol
Monoisotopic Mass:
288.159g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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