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89459-47-2 | 4-Acridinecarboxamide, 9-amino-2-nitro-N-[2-(dimethylamino)ethyl]-
CAS No: 89459-47-2 Catalog No: AG004430 MDL No:
Product Description
Catalog Number:
AG004430
Chemical Name:
4-Acridinecarboxamide, 9-amino-2-nitro-N-[2-(dimethylamino)ethyl]-
CAS Number:
89459-47-2
Molecular Formula:
C18H19N5O3
Molecular Weight:
353.3752
IUPAC Name:
9-amino-N-[2-(dimethylamino)ethyl]-2-nitroacridine-4-carboxamide
InChI:
InChI=1S/C18H19N5O3/c1-22(2)8-7-20-18(24)14-10-11(23(25)26)9-13-16(19)12-5-3-4-6-15(12)21-17(13)14/h3-6,9-10H,7-8H2,1-2H3,(H2,19,21)(H,20,24)
InChI Key:
WYJPXOIYHVVTFV-UHFFFAOYSA-N
SMILES:
CN(CCNC(=O)c1cc(cc2c1nc1ccccc1c2N)[N+](=O)[O-])C
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.149g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
353.382g/mol
Monoisotopic Mass:
353.149g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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