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96536-30-0 | 1-METHYL-1-(5-METHYL-3-OXO-4-HEXENYL)PIPERIDINIUM IODIDE
CAS No: 96536-30-0 Catalog No: AG006QOZ MDL No:
Product Description
Catalog Number:
AG006QOZ
Chemical Name:
1-METHYL-1-(5-METHYL-3-OXO-4-HEXENYL)PIPERIDINIUM IODIDE
CAS Number:
96536-30-0
Molecular Formula:
C13H24INO
Molecular Weight:
337.2402
IUPAC Name:
5-methyl-1-(1-methylpiperidin-1-ium-1-yl)hex-4-en-3-one;iodide
InChI:
InChI=1S/C13H24NO.HI/c1-12(2)11-13(15)7-10-14(3)8-5-4-6-9-14;/h11H,4-10H2,1-3H3;1H/q+1;/p-1
InChI Key:
JVTGOOKEZIWKGG-UHFFFAOYSA-M
SMILES:
CC(=CC(=O)CC[N+]1(C)CCCCC1)C.[I-]
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.245g/mol
Monoisotopic Mass:
337.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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