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95590-56-0 | 1-(3-HYDROXYPROPYL)-1,2,6-TRIMETHYLPIPERIDINIUM IODIDE
CAS No: 95590-56-0 Catalog No: AG00H8ZM MDL No:
Product Description
Catalog Number:
AG00H8ZM
Chemical Name:
1-(3-HYDROXYPROPYL)-1,2,6-TRIMETHYLPIPERIDINIUM IODIDE
CAS Number:
95590-56-0
Molecular Formula:
C11H24INO
Molecular Weight:
313.2188
IUPAC Name:
3-(1,2,6-trimethylpiperidin-1-ium-1-yl)propan-1-ol;iodide
InChI:
InChI=1S/C11H24NO.HI/c1-10-6-4-7-11(2)12(10,3)8-5-9-13;/h10-11,13H,4-9H2,1-3H3;1H/q+1;/p-1
InChI Key:
QSLLVYQDGMJVED-UHFFFAOYSA-M
SMILES:
OCCC[N+]1(C)C(C)CCCC1C.[I-]
Properties
Complexity:
148
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:
1
Isotope Atom Count:
0
Molecular Weight:
313.223g/mol
Monoisotopic Mass:
313.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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