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146510-36-3 | Imidodicarbonimidic diamide, N-[(3,4-dichlorophenyl)methyl]-N'-octyl-
CAS No: 146510-36-3 Catalog No: AG001E3T MDL No:
Product Description
Catalog Number:
AG001E3T
Chemical Name:
Imidodicarbonimidic diamide, N-[(3,4-dichlorophenyl)methyl]-N'-octyl-
CAS Number:
146510-36-3
Molecular Formula:
C17H27Cl2N5
Molecular Weight:
372.3358
IUPAC Name:
1-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]-2-octylguanidine
InChI:
InChI=1S/C17H27Cl2N5/c1-2-3-4-5-6-7-10-22-16(20)24-17(21)23-12-13-8-9-14(18)15(19)11-13/h8-9,11H,2-7,10,12H2,1H3,(H5,20,21,22,23,24)
InChI Key:
ZZQMUJGZCZTLQD-UHFFFAOYSA-N
SMILES:
CCCCCCCCN(C(=N)NCc1ccc(c(c1)Cl)Cl)C(=N)N
UNII:
92C2328G7P
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.164g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
372.338g/mol
Monoisotopic Mass:
371.164g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| Oxidative one-carbon cleavage of the octyl side chain of olanexidine, a novel antimicrobial agent, in dog liver microsomes. | Xenobiotica; the fate of foreign compounds in biological systems 20040101 |
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