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133331-86-9 | 4-Quinolinamine, N-[4-[4-[bis(2-chloroethyl)amino]phenoxy]phenyl]-
CAS No: 133331-86-9 Catalog No: AG0014NJ MDL No:
Product Description
Catalog Number:
AG0014NJ
Chemical Name:
4-Quinolinamine, N-[4-[4-[bis(2-chloroethyl)amino]phenoxy]phenyl]-
CAS Number:
133331-86-9
Molecular Formula:
C25H23Cl2N3O
Molecular Weight:
452.3756
IUPAC Name:
N-[4-[4-[bis(2-chloroethyl)amino]phenoxy]phenyl]quinolin-4-amine
InChI:
InChI=1S/C25H23Cl2N3O/c26-14-17-30(18-15-27)20-7-11-22(12-8-20)31-21-9-5-19(6-10-21)29-25-13-16-28-24-4-2-1-3-23(24)25/h1-13,16H,14-15,17-18H2,(H,28,29)
InChI Key:
FQTNPFCHUUDIOJ-UHFFFAOYSA-N
SMILES:
ClCCN(c1ccc(cc1)Oc1ccc(cc1)Nc1ccnc2c1cccc2)CCCl
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
451.122g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
452.379g/mol
Monoisotopic Mass:
451.122g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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