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1069-62-1 | (2-Acetyl-4-methylpentyl)trimethylammonium Iodide
CAS No: 1069-62-1 Catalog No: AG003AQY MDL No:
Product Description
Catalog Number:
AG003AQY
Chemical Name:
(2-Acetyl-4-methylpentyl)trimethylammonium Iodide
CAS Number:
1069-62-1
Molecular Formula:
C11H24INO
Molecular Weight:
313.2188
IUPAC Name:
(2-acetyl-4-methylpentyl)-trimethylazanium;iodide
InChI:
InChI=1S/C11H24NO.HI/c1-9(2)7-11(10(3)13)8-12(4,5)6;/h9,11H,7-8H2,1-6H3;1H/q+1;/p-1
InChI Key:
QCTKXTXHDRLVAT-UHFFFAOYSA-M
SMILES:
CC(CC(C(=O)C)C[N+](C)(C)C)C.[I-]
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.223g/mol
Monoisotopic Mass:
313.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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