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Home > Imidazoles > 28115-25-5
28115-25-5 | 3a,6a-dimethylperhydroimidazo[4,5-d]imidazole-2,5-dione
CAS No: 28115-25-5 Catalog No: AG01CAUW MDL No:MFCD00457959
Product Description
Catalog Number:
AG01CAUW
Chemical Name:
3a,6a-dimethylperhydroimidazo[4,5-d]imidazole-2,5-dione
CAS Number:
28115-25-5
Molecular Formula:
C6H10N4O2
Molecular Weight:
170.1692
MDL Number:
MFCD00457959
IUPAC Name:
3a,6a-dimethyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
InChI:
InChI=1S/C6H10N4O2/c1-5-6(2,9-3(11)7-5)10-4(12)8-5/h1-2H3,(H2,7,9,11)(H2,8,10,12)
InChI Key:
HTMUAOILEIFUNM-UHFFFAOYSA-N
SMILES:
O=C1NC2(C(N1)(C)NC(=O)N2)C
UNII:
P9OC7CR7DS
NSC Number:
16614
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.08g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
170.172g/mol
Monoisotopic Mass:
170.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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