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125173-75-3 | 9-Acridinamine, N-[6-[4-[bis(2-chloroethyl)amino]phenyl]hexyl]-
CAS No: 125173-75-3 Catalog No: AG000NAZ MDL No:
Product Description
Catalog Number:
AG000NAZ
Chemical Name:
9-Acridinamine, N-[6-[4-[bis(2-chloroethyl)amino]phenyl]hexyl]-
CAS Number:
125173-75-3
Molecular Formula:
C29H33Cl2N3
Molecular Weight:
494.4984
IUPAC Name:
N-[6-[4-[bis(2-chloroethyl)amino]phenyl]hexyl]acridin-9-amine
InChI:
InChI=1S/C29H33Cl2N3/c30-18-21-34(22-19-31)24-16-14-23(15-17-24)9-3-1-2-8-20-32-29-25-10-4-6-12-27(25)33-28-13-7-5-11-26(28)29/h4-7,10-17H,1-3,8-9,18-22H2,(H,32,33)
InChI Key:
BOTVOSDEXKKBSU-UHFFFAOYSA-N
SMILES:
ClCCN(c1ccc(cc1)CCCCCCNc1c2ccccc2nc2c1cccc2)CCCl
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
493.205g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
494.504g/mol
Monoisotopic Mass:
493.205g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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