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21602-52-8 | 1-(4-TERT-BUTYL-1-PHENYLCYCLOHEXYL)-1-METHYLPIPERIDINIUM IODIDE
CAS No: 21602-52-8 Catalog No: AG007PSZ MDL No:
Product Description
Catalog Number:
AG007PSZ
Chemical Name:
1-(4-TERT-BUTYL-1-PHENYLCYCLOHEXYL)-1-METHYLPIPERIDINIUM IODIDE
CAS Number:
21602-52-8
Molecular Formula:
C22H36IN
Molecular Weight:
441.4324
IUPAC Name:
1-(4-tert-butyl-1-phenylcyclohexyl)-1-methylpiperidin-1-ium;iodide
InChI:
InChI=1S/C22H36N.HI/c1-21(2,3)19-13-15-22(16-14-19,20-11-7-5-8-12-20)23(4)17-9-6-10-18-23;/h5,7-8,11-12,19H,6,9-10,13-18H2,1-4H3;1H/q+1;/p-1
InChI Key:
CPLYRJICFDWTNZ-UHFFFAOYSA-M
SMILES:
CC(C1CCC(CC1)(c1ccccc1)[N+]1(C)CCCCC1)(C)C.[I-]
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.189g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
441.441g/mol
Monoisotopic Mass:
441.189g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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