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96616-17-0 | Urea, N,N'-bis(5-amino-2-methylphenyl)-
CAS No: 96616-17-0 Catalog No: AG0066WK MDL No:
Product Description
Catalog Number:
AG0066WK
Chemical Name:
Urea, N,N'-bis(5-amino-2-methylphenyl)-
CAS Number:
96616-17-0
Molecular Formula:
C15H18N4O
Molecular Weight:
270.3296
IUPAC Name:
1,3-bis(5-amino-2-methylphenyl)urea
InChI:
InChI=1S/C15H18N4O/c1-9-3-5-11(16)7-13(9)18-15(20)19-14-8-12(17)6-4-10(14)2/h3-8H,16-17H2,1-2H3,(H2,18,19,20)
InChI Key:
KLLHGOCRQSWCNG-UHFFFAOYSA-N
SMILES:
O=C(Nc1cc(N)ccc1C)Nc1cc(N)ccc1C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.148g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
270.336g/mol
Monoisotopic Mass:
270.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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