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130031-48-0 | 9-Acridinamine, N-[2-[[4-[bis(2-chloroethyl)amino]phenyl]thio]ethyl]-
CAS No: 130031-48-0 Catalog No: AG000TXW MDL No:
Product Description
Catalog Number:
AG000TXW
Chemical Name:
9-Acridinamine, N-[2-[[4-[bis(2-chloroethyl)amino]phenyl]thio]ethyl]-
CAS Number:
130031-48-0
Molecular Formula:
C25H25Cl2N3S
Molecular Weight:
470.4571
IUPAC Name:
N-[2-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylethyl]acridin-9-amine
InChI:
InChI=1S/C25H25Cl2N3S/c26-13-16-30(17-14-27)19-9-11-20(12-10-19)31-18-15-28-25-21-5-1-3-7-23(21)29-24-8-4-2-6-22(24)25/h1-12H,13-18H2,(H,28,29)
InChI Key:
XWMICDVYAQYSFM-UHFFFAOYSA-N
SMILES:
ClCCN(c1ccc(cc1)SCCNc1c2ccccc2nc2c1cccc2)CCCl
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
469.115g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
470.456g/mol
Monoisotopic Mass:
469.115g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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