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130031-50-4 | 9-Acridinamine, N-[4-[[4-[bis(2-chloroethyl)amino]phenyl]thio]butyl]-
CAS No: 130031-50-4 Catalog No: AG000TXU MDL No:
Product Description
Catalog Number:
AG000TXU
Chemical Name:
9-Acridinamine, N-[4-[[4-[bis(2-chloroethyl)amino]phenyl]thio]butyl]-
CAS Number:
130031-50-4
Molecular Formula:
C27H29Cl2N3S
Molecular Weight:
498.5103
IUPAC Name:
N-[4-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylbutyl]acridin-9-amine
InChI:
InChI=1S/C27H29Cl2N3S/c28-15-18-32(19-16-29)21-11-13-22(14-12-21)33-20-6-5-17-30-27-23-7-1-3-9-25(23)31-26-10-4-2-8-24(26)27/h1-4,7-14H,5-6,15-20H2,(H,30,31)
InChI Key:
RIZRAWBQTFMLAA-UHFFFAOYSA-N
SMILES:
ClCCN(c1ccc(cc1)SCCCCNc1c2ccccc2nc2c1cccc2)CCCl
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
497.146g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
498.51g/mol
Monoisotopic Mass:
497.146g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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