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102571-41-5 | Ethanaminium, N,N,N-trimethyl-2-[(phenylmethyl)-2-pyridinylamino]-, iodide (1:1)
CAS No: 102571-41-5 Catalog No: AG0007RJ MDL No:
Product Description
Catalog Number:
AG0007RJ
Chemical Name:
Ethanaminium, N,N,N-trimethyl-2-[(phenylmethyl)-2-pyridinylamino]-, iodide (1:1)
CAS Number:
102571-41-5
Molecular Formula:
C17H24IN3
Molecular Weight:
397.2970
IUPAC Name:
2-[benzyl(pyridin-2-yl)amino]ethyl-trimethylazanium;iodide
InChI:
InChI=1S/C17H24N3.HI/c1-20(2,3)14-13-19(17-11-7-8-12-18-17)15-16-9-5-4-6-10-16;/h4-12H,13-15H2,1-3H3;1H/q+1;/p-1
InChI Key:
MWSTXUREAHYMLX-UHFFFAOYSA-M
SMILES:
C[N+](CCN(c1ccccn1)Cc1ccccc1)(C)C.[I-]
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.101g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.304g/mol
Monoisotopic Mass:
397.101g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
16.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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