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Home > Imidazoles > 1306603-89-3
1306603-89-3 | 5-acetyl-N,N,2-trimethyl-1H-imidazole-4-carboxamide
CAS No: 1306603-89-3 Catalog No: AG01AIEH MDL No:MFCD18839032
Product Description
Catalog Number:
AG01AIEH
Chemical Name:
5-acetyl-N,N,2-trimethyl-1H-imidazole-4-carboxamide
CAS Number:
1306603-89-3
Molecular Formula:
C9H13N3O2
Molecular Weight:
195.2184
MDL Number:
MFCD18839032
IUPAC Name:
4-acetyl-N,N,2-trimethyl-1H-imidazole-5-carboxamide
InChI:
InChI=1S/C9H13N3O2/c1-5(13)7-8(9(14)12(3)4)11-6(2)10-7/h1-4H3,(H,10,11)
InChI Key:
OAETVTKPOLQXFI-UHFFFAOYSA-N
SMILES:
CN(C(=O)c1nc([nH]c1C(=O)C)C)C
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.101g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.222g/mol
Monoisotopic Mass:
195.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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