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89402-60-8 | Urea, N-cyclohexyl-N'-[4-(diethylamino)phenyl]-
CAS No: 89402-60-8 Catalog No: AG003VTF MDL No:
Product Description
Catalog Number:
AG003VTF
Chemical Name:
Urea, N-cyclohexyl-N'-[4-(diethylamino)phenyl]-
CAS Number:
89402-60-8
Molecular Formula:
C17H27N3O
Molecular Weight:
289.4158
IUPAC Name:
1-cyclohexyl-3-[4-(diethylamino)phenyl]urea
InChI:
InChI=1S/C17H27N3O/c1-3-20(4-2)16-12-10-15(11-13-16)19-17(21)18-14-8-6-5-7-9-14/h10-14H,3-9H2,1-2H3,(H2,18,19,21)
InChI Key:
QCYKPKORTNNDNE-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)NC(=O)NC1CCCCC1)CC
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.215g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.423g/mol
Monoisotopic Mass:
289.215g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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