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89610-54-8 | 1-Octanaminium, N-[bis(dimethylamino)methylene]-N-methyl-, iodide
CAS No: 89610-54-8 Catalog No: AG003WTL MDL No:
Product Description
Catalog Number:
AG003WTL
Chemical Name:
1-Octanaminium, N-[bis(dimethylamino)methylene]-N-methyl-, iodide
CAS Number:
89610-54-8
Molecular Formula:
C14H32IN3
Molecular Weight:
369.3284
IUPAC Name:
[dimethylamino-[methyl(octyl)amino]methylidene]-dimethylazanium;iodide
InChI:
InChI=1S/C14H32N3.HI/c1-7-8-9-10-11-12-13-17(6)14(15(2)3)16(4)5;/h7-13H2,1-6H3;1H/q+1;/p-1
InChI Key:
JHKBUWYWEDDLRE-UHFFFAOYSA-M
SMILES:
CCCCCCCC[N+](=C(N(C)C)N(C)C)C.[I-]
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.164g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.335g/mol
Monoisotopic Mass:
369.164g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
9.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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