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130031-43-5 | 9-Acridinamine, N-[4-[4-[bis(2-chloroethyl)amino]phenyl]butyl]-
CAS No: 130031-43-5 Catalog No: AG000TXZ MDL No:
Product Description
Catalog Number:
AG000TXZ
Chemical Name:
9-Acridinamine, N-[4-[4-[bis(2-chloroethyl)amino]phenyl]butyl]-
CAS Number:
130031-43-5
Molecular Formula:
C27H29Cl2N3
Molecular Weight:
466.4453
IUPAC Name:
N-[4-[4-[bis(2-chloroethyl)amino]phenyl]butyl]acridin-9-amine
InChI:
InChI=1S/C27H29Cl2N3/c28-16-19-32(20-17-29)22-14-12-21(13-15-22)7-5-6-18-30-27-23-8-1-3-10-25(23)31-26-11-4-2-9-24(26)27/h1-4,8-15H,5-7,16-20H2,(H,30,31)
InChI Key:
RGHBKXNQJGGALZ-UHFFFAOYSA-N
SMILES:
ClCCN(c1ccc(cc1)CCCCNc1c2ccccc2nc2c1cccc2)CCCl
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.174g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
466.45g/mol
Monoisotopic Mass:
465.174g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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