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116352-58-0 | Guanidine, N''-(2,6-dimethylphenyl)-N,N'-diethyl-N,N'-diphenyl-
CAS No: 116352-58-0 Catalog No: AG000C9H MDL No:
Product Description
Catalog Number:
AG000C9H
Chemical Name:
Guanidine, N''-(2,6-dimethylphenyl)-N,N'-diethyl-N,N'-diphenyl-
CAS Number:
116352-58-0
Molecular Formula:
C25H29N3
Molecular Weight:
371.5179
IUPAC Name:
2-(2,6-dimethylphenyl)-1,3-diethyl-1,3-diphenylguanidine
InChI:
InChI=1S/C25H29N3/c1-5-27(22-16-9-7-10-17-22)25(26-24-20(3)14-13-15-21(24)4)28(6-2)23-18-11-8-12-19-23/h7-19H,5-6H2,1-4H3
InChI Key:
CPYZJIJIMSHIKO-UHFFFAOYSA-N
SMILES:
CCN(C(=Nc1c(C)cccc1C)N(c1ccccc1)CC)c1ccccc1
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.236g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.528g/mol
Monoisotopic Mass:
371.236g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
18.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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