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130031-49-1 | 9-Acridinamine, N-[3-[[4-[bis(2-chloroethyl)amino]phenyl]thio]propyl]-
CAS No: 130031-49-1 Catalog No: AG000TXV MDL No:
Product Description
Catalog Number:
AG000TXV
Chemical Name:
9-Acridinamine, N-[3-[[4-[bis(2-chloroethyl)amino]phenyl]thio]propyl]-
CAS Number:
130031-49-1
Molecular Formula:
C26H27Cl2N3S
Molecular Weight:
484.4837
IUPAC Name:
N-[3-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylpropyl]acridin-9-amine
InChI:
InChI=1S/C26H27Cl2N3S/c27-14-17-31(18-15-28)20-10-12-21(13-11-20)32-19-5-16-29-26-22-6-1-3-8-24(22)30-25-9-4-2-7-23(25)26/h1-4,6-13H,5,14-19H2,(H,29,30)
InChI Key:
FSJFMSCJJZGVHC-UHFFFAOYSA-N
SMILES:
ClCCN(c1ccc(cc1)SCCCNc1c2ccccc2nc2c1cccc2)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:
483.13g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
484.483g/mol
Monoisotopic Mass:
483.13g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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