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100113-02-8 | 4-Acridinecarboxamide, 9-amino-1-chloro-N-[2-(dimethylamino)ethyl]-, hydrochloride (1:2)
CAS No: 100113-02-8 Catalog No: AG0000ZF MDL No:
Product Description
Catalog Number:
AG0000ZF
Chemical Name:
4-Acridinecarboxamide, 9-amino-1-chloro-N-[2-(dimethylamino)ethyl]-, hydrochloride (1:2)
CAS Number:
100113-02-8
Molecular Formula:
C18H21Cl3N4O
Molecular Weight:
415.7445
IUPAC Name:
9-amino-1-chloro-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide;dihydrochloride
InChI:
InChI=1S/C18H19ClN4O.2ClH/c1-23(2)10-9-21-18(24)12-7-8-13(19)15-16(20)11-5-3-4-6-14(11)22-17(12)15;;/h3-8H,9-10H2,1-2H3,(H2,20,22)(H,21,24);2*1H
InChI Key:
GXNQYZSBQABKAU-UHFFFAOYSA-N
SMILES:
CN(CCNC(=O)c1ccc(c2c1nc1ccccc1c2N)Cl)C.Cl.Cl
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.078g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
415.743g/mol
Monoisotopic Mass:
414.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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