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89610-55-9 | 1-Decanaminium, N-[bis(dimethylamino)methylene]-N-methyl-, iodide
CAS No: 89610-55-9 Catalog No: AG003YPT MDL No:
Product Description
Catalog Number:
AG003YPT
Chemical Name:
1-Decanaminium, N-[bis(dimethylamino)methylene]-N-methyl-, iodide
CAS Number:
89610-55-9
Molecular Formula:
C16H36IN3
Molecular Weight:
397.3816
IUPAC Name:
[[decyl(methyl)amino]-(dimethylamino)methylidene]-dimethylazanium;iodide
InChI:
InChI=1S/C16H36N3.HI/c1-7-8-9-10-11-12-13-14-15-19(6)16(17(2)3)18(4)5;/h7-15H2,1-6H3;1H/q+1;/p-1
InChI Key:
LTEJTNNHLGBWAV-UHFFFAOYSA-M
SMILES:
CCCCCCCCCC[N+](=C(N(C)C)N(C)C)C.[I-]
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.195g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.389g/mol
Monoisotopic Mass:
397.195g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
9.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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