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89609-70-1

89609-70-1 | 1-Hexanaminium, N-[bis(dimethylamino)methylene]-N-hexyl-, chloride

CAS No: 89609-70-1 Catalog No: AG003WTR MDL No:

Product Description

Catalog Number:
AG003WTR
Chemical Name:
1-Hexanaminium, N-[bis(dimethylamino)methylene]-N-hexyl-, chloride
CAS Number:
89609-70-1
Molecular Formula:
C17H38ClN3
Molecular Weight:
319.9567
IUPAC Name:
[(dihexylamino)-(dimethylamino)methylidene]-dimethylazanium;chloride
InChI:
InChI=1S/C17H38N3.ClH/c1-7-9-11-13-15-20(16-14-12-10-8-2)17(18(3)4)19(5)6;/h7-16H2,1-6H3;1H/q+1;/p-1
InChI Key:
IMUKXCXQKQDSHE-UHFFFAOYSA-M
SMILES:
CCCCCC[N+](=C(N(C)C)N(C)C)CCCCCC.[Cl-]

Properties

Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.275g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.962g/mol
Monoisotopic Mass:
319.275g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
9.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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