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Home > Imidazoles > 99645-97-3
99645-97-3 | 2,6,7,8-Tetrahydro-8-methyl-imidazo[1,2-a]pyrimidin-5(3H)-one
CAS No: 99645-97-3 Catalog No: AG01F099 MDL No:
Product Description
Catalog Number:
AG01F099
Chemical Name:
2,6,7,8-Tetrahydro-8-methyl-imidazo[1,2-a]pyrimidin-5(3H)-one
CAS Number:
99645-97-3
Molecular Formula:
C7H12IN3O
Molecular Weight:
281.0942
IUPAC Name:
8-methyl-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-8-ium-5-one;iodide
InChI:
InChI=1S/C7H11N3O.HI/c1-9-4-2-6(11)10-5-3-8-7(9)10;/h2-5H2,1H3;1H
InChI Key:
QLPPDRSTXKLIDU-UHFFFAOYSA-N
SMILES:
O=C1CCN(C2=[NH+]CCN12)C.[I-]
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.003g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.097g/mol
Monoisotopic Mass:
281.003g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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