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125173-79-7 | 1-Hexanone, 6-(9-acridinylamino)-1-[4-[bis(2-chloroethyl)amino]phenyl]-
CAS No: 125173-79-7 Catalog No: AG000NAW MDL No:
Product Description
Catalog Number:
AG000NAW
Chemical Name:
1-Hexanone, 6-(9-acridinylamino)-1-[4-[bis(2-chloroethyl)amino]phenyl]-
CAS Number:
125173-79-7
Molecular Formula:
C29H31Cl2N3O
Molecular Weight:
508.4819
IUPAC Name:
6-(acridin-9-ylamino)-1-[4-[bis(2-chloroethyl)amino]phenyl]hexan-1-one
InChI:
InChI=1S/C29H31Cl2N3O/c30-17-20-34(21-18-31)23-15-13-22(14-16-23)28(35)12-2-1-7-19-32-29-24-8-3-5-10-26(24)33-27-11-6-4-9-25(27)29/h3-6,8-11,13-16H,1-2,7,12,17-21H2,(H,32,33)
InChI Key:
ZBXRYMWSCXGVMN-UHFFFAOYSA-N
SMILES:
ClCCN(c1ccc(cc1)C(=O)CCCCCNc1c2ccccc2nc2c1cccc2)CCCl
Properties
Complexity:
599
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
507.184g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
508.487g/mol
Monoisotopic Mass:
507.184g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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