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Home > Imidazoles > 111032-41-8
111032-41-8 | 3,7-diethyl-2-imino-3,7-dimethyl-2H,3H,5H,6H,7H-imidazo[1,2-c]imidazolidin-5-one
CAS No: 111032-41-8 Catalog No: AG019Z9P MDL No:MFCD22196659
Product Description
Catalog Number:
AG019Z9P
Chemical Name:
3,7-diethyl-2-imino-3,7-dimethyl-2H,3H,5H,6H,7H-imidazo[1,2-c]imidazolidin-5-one
CAS Number:
111032-41-8
Molecular Formula:
C11H18N4O
Molecular Weight:
222.2868
MDL Number:
MFCD22196659
IUPAC Name:
3,7-diethyl-2-imino-3,7-dimethyl-6H-imidazo[1,5-a]imidazol-5-one
InChI:
InChI=1S/C11H18N4O/c1-5-10(3)8-13-7(12)11(4,6-2)15(8)9(16)14-10/h12H,5-6H2,1-4H3,(H,14,16)
InChI Key:
RXYSIYYOAXVIPL-UHFFFAOYSA-N
SMILES:
CCC1(C)NC(=O)N2C1=NC(=N)C2(C)CC
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.148g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.292g/mol
Monoisotopic Mass:
222.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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