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89459-16-5 | 4-Acridinecarboxamide,9-amino-N-[2-(dimethylamino)ethyl]-6-methoxy-, hydrochloride (1:2)
CAS No: 89459-16-5 Catalog No: AG0042K1 MDL No:
Product Description
Catalog Number:
AG0042K1
Chemical Name:
4-Acridinecarboxamide,9-amino-N-[2-(dimethylamino)ethyl]-6-methoxy-, hydrochloride (1:2)
CAS Number:
89459-16-5
Molecular Formula:
C19H24Cl2N4O2
Molecular Weight:
411.3255
IUPAC Name:
9-amino-N-[2-(dimethylamino)ethyl]-6-methoxyacridine-4-carboxamide;dihydrochloride
InChI:
InChI=1S/C19H22N4O2.2ClH/c1-23(2)10-9-21-19(24)15-6-4-5-14-17(20)13-8-7-12(25-3)11-16(13)22-18(14)15;;/h4-8,11H,9-10H2,1-3H3,(H2,20,22)(H,21,24);2*1H
InChI Key:
WCQVPMPHUTWRRO-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc1c(c2N)cccc1C(=O)NCCN(C)C.Cl.Cl
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.128g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
411.327g/mol
Monoisotopic Mass:
410.128g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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