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89609-77-8

89609-77-8 | Benzenaminium, N-[bis(diethylamino)methylene]-N-methyl-, chloride

CAS No: 89609-77-8 Catalog No: AG003XFN MDL No:

Product Description

Catalog Number:
AG003XFN
Chemical Name:
Benzenaminium, N-[bis(diethylamino)methylene]-N-methyl-, chloride
CAS Number:
89609-77-8
Molecular Formula:
C16H28ClN3
Molecular Weight:
297.8666
IUPAC Name:
[diethylamino-(N-methylanilino)methylidene]-diethylazanium;chloride
InChI:
InChI=1S/C16H28N3.ClH/c1-6-18(7-2)16(19(8-3)9-4)17(5)15-13-11-10-12-14-15;/h10-14H,6-9H2,1-5H3;1H/q+1;/p-1
InChI Key:
UVNOAJXYISMGBX-UHFFFAOYSA-M
SMILES:
CCN(C(=[N+](c1ccccc1)C)N(CC)CC)CC.[Cl-]

Properties

Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.197g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.871g/mol
Monoisotopic Mass:
297.197g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
9.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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