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133041-60-8 | 4-Quinolinamine, N-[4-[4-[(2-chloroethyl)ethylamino]phenoxy]phenyl]-, hydrochloride (1:2)
CAS No: 133041-60-8 Catalog No: AG0011KR MDL No:
Product Description
Catalog Number:
AG0011KR
Chemical Name:
4-Quinolinamine, N-[4-[4-[(2-chloroethyl)ethylamino]phenoxy]phenyl]-, hydrochloride (1:2)
CAS Number:
133041-60-8
Molecular Formula:
C25H26Cl3N3O
Molecular Weight:
490.8524
IUPAC Name:
N-[4-[4-(4-chlorobutan-2-ylamino)phenoxy]phenyl]quinolin-4-amine;dihydrochloride
InChI:
InChI=1S/C25H24ClN3O.2ClH/c1-18(14-16-26)28-19-6-10-21(11-7-19)30-22-12-8-20(9-13-22)29-25-15-17-27-24-5-3-2-4-23(24)25;;/h2-13,15,17-18,28H,14,16H2,1H3,(H,27,29);2*1H
InChI Key:
NVUBLZAOXRZCER-UHFFFAOYSA-N
SMILES:
ClCCN(c1ccc(cc1)Oc1ccc(cc1)Nc1ccnc2c1cccc2)CC.Cl.Cl
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
489.114g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
490.853g/mol
Monoisotopic Mass:
489.114g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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