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21602-67-5 | 4-methyl-4-[1-(thiophen-2-yl)cyclohexyl]morpholin-4-ium iodide
CAS No: 21602-67-5 Catalog No: AG007PS8 MDL No:
Product Description
Catalog Number:
AG007PS8
Chemical Name:
4-methyl-4-[1-(thiophen-2-yl)cyclohexyl]morpholin-4-ium iodide
CAS Number:
21602-67-5
Molecular Formula:
C15H24INOS
Molecular Weight:
393.3266
IUPAC Name:
4-methyl-4-(1-thiophen-2-ylcyclohexyl)morpholin-4-ium;iodide
InChI:
InChI=1S/C15H24NOS.HI/c1-16(9-11-17-12-10-16)15(7-3-2-4-8-15)14-6-5-13-18-14;/h5-6,13H,2-4,7-12H2,1H3;1H/q+1;/p-1
InChI Key:
NBVQXFXHMFRSOI-UHFFFAOYSA-M
SMILES:
C[N+]1(CCOCC1)C1(CCCCC1)c1cccs1.[I-]
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.327g/mol
Monoisotopic Mass:
393.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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