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100113-06-2 | 4-Acridinecarboxamide, 9-amino-N-[2-(dimethylamino)ethyl]-3-methoxy-, hydrochloride (1:2)
CAS No: 100113-06-2 Catalog No: AG0000ZC MDL No:
Product Description
Catalog Number:
AG0000ZC
Chemical Name:
4-Acridinecarboxamide, 9-amino-N-[2-(dimethylamino)ethyl]-3-methoxy-, hydrochloride (1:2)
CAS Number:
100113-06-2
Molecular Formula:
C19H24Cl2N4O2
Molecular Weight:
411.3255
IUPAC Name:
9-amino-N-[2-(dimethylamino)ethyl]-3-methoxyacridine-4-carboxamide;dihydrochloride
InChI:
InChI=1S/C19H22N4O2.2ClH/c1-23(2)11-10-21-19(24)16-15(25-3)9-8-13-17(20)12-6-4-5-7-14(12)22-18(13)16;;/h4-9H,10-11H2,1-3H3,(H2,20,22)(H,21,24);2*1H
InChI Key:
KOCRBFQBLLXZCH-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1C(=O)NCCN(C)C)nc1c(c2N)cccc1.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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