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100113-21-1 | 4-Acridinecarboxamide, 9-amino-N-[2-(dimethylamino)ethyl]-3-methoxy-
CAS No: 100113-21-1 Catalog No: AG0000ZA MDL No:
Product Description
Catalog Number:
AG0000ZA
Chemical Name:
4-Acridinecarboxamide, 9-amino-N-[2-(dimethylamino)ethyl]-3-methoxy-
CAS Number:
100113-21-1
Molecular Formula:
C19H22N4O2
Molecular Weight:
338.4036
IUPAC Name:
9-amino-N-[2-(dimethylamino)ethyl]-3-methoxyacridine-4-carboxamide
InChI:
InChI=1S/C19H22N4O2/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)
InChI Key:
QKHRSPSDCFQDNF-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1C(=O)NCCN(C)C)nc1c(c2N)cccc1
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.174g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
338.411g/mol
Monoisotopic Mass:
338.174g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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