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90096-81-4 | Urea, N-butyl-N'-(4,5-dihydro-1-methyl-4-oxo-1H-imidazol-2-yl)-
CAS No: 90096-81-4 Catalog No: AG006JEM MDL No:
Product Description
Catalog Number:
AG006JEM
Chemical Name:
Urea, N-butyl-N'-(4,5-dihydro-1-methyl-4-oxo-1H-imidazol-2-yl)-
CAS Number:
90096-81-4
Molecular Formula:
C9H16N4O2
Molecular Weight:
212.2489
IUPAC Name:
1-butyl-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea
InChI:
InChI=1S/C9H16N4O2/c1-3-4-5-10-9(15)12-8-11-7(14)6-13(8)2/h3-6H2,1-2H3,(H2,10,11,12,14,15)
InChI Key:
RKTDQAIIDOPQDN-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)NC1=NC(=O)CN1C
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.253g/mol
Monoisotopic Mass:
212.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.3
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