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835903-71-4 | Pyrimidinium, 1,4,6-trimethyl-2-[2-(methylamino)-2-oxoethyl]-, iodide
CAS No: 835903-71-4 Catalog No: AG004TTH MDL No:
Product Description
Catalog Number:
AG004TTH
Chemical Name:
Pyrimidinium, 1,4,6-trimethyl-2-[2-(methylamino)-2-oxoethyl]-, iodide
CAS Number:
835903-71-4
Molecular Formula:
C10H16IN3O
Molecular Weight:
321.1580
IUPAC Name:
N-methyl-2-(1,4,6-trimethylpyrimidin-1-ium-2-yl)acetamide;iodide
InChI:
InChI=1S/C10H15N3O.HI/c1-7-5-8(2)13(4)9(12-7)6-10(14)11-3;/h5H,6H2,1-4H3;1H
InChI Key:
AWNNZJKMJWGDHV-UHFFFAOYSA-N
SMILES:
CNC(=O)Cc1nc(C)cc([n+]1C)C.[I-]
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.034g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.162g/mol
Monoisotopic Mass:
321.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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