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20718-10-9 | Urea, N,N''-(4-methyl-1,3-phenylene)bis[N',N'-diethyl- (9CI)
CAS No: 20718-10-9 Catalog No: AG002IVP MDL No:
Product Description
Catalog Number:
AG002IVP
Chemical Name:
Urea, N,N''-(4-methyl-1,3-phenylene)bis[N',N'-diethyl- (9CI)
CAS Number:
20718-10-9
Molecular Formula:
C17H28N4O2
Molecular Weight:
320.4298
IUPAC Name:
3-[3-(diethylcarbamoylamino)-4-methylphenyl]-1,1-diethylurea
InChI:
InChI=1S/C17H28N4O2/c1-6-20(7-2)16(22)18-14-11-10-13(5)15(12-14)19-17(23)21(8-3)9-4/h10-12H,6-9H2,1-5H3,(H,18,22)(H,19,23)
InChI Key:
NHQLXARPLGATNF-UHFFFAOYSA-N
SMILES:
CCN(C(=O)Nc1ccc(c(c1)NC(=O)N(CC)CC)C)CC
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.221g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
320.437g/mol
Monoisotopic Mass:
320.221g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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