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79967-29-6 | 4-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-N,N-bis(2-chloroethyl)aniline
CAS No: 79967-29-6 Catalog No: AG0054F3 MDL No:
Product Description
Catalog Number:
AG0054F3
Chemical Name:
4-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-N,N-bis(2-chloroethyl)aniline
CAS Number:
79967-29-6
Molecular Formula:
C21H25Cl4N3
Molecular Weight:
461.2553
IUPAC Name:
4-[[4-[bis(2-chloroethyl)amino]phenyl]iminomethyl]-N,N-bis(2-chloroethyl)aniline
InChI:
InChI=1S/C21H25Cl4N3/c22-9-13-27(14-10-23)20-5-1-18(2-6-20)17-26-19-3-7-21(8-4-19)28(15-11-24)16-12-25/h1-8,17H,9-16H2
InChI Key:
KEAVXJUHRZUZOP-UHFFFAOYSA-N
SMILES:
ClCCN(c1ccc(cc1)N=Cc1ccc(cc1)N(CCCl)CCCl)CCCl
NSC Number:
260496
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
461.077g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
461.252g/mol
Monoisotopic Mass:
459.08g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
18.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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