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29199-61-9 | Ethanaminium, 2-[(2,6-dimethylphenyl)amino]-N,N-diethyl-N-methyl-2-oxo-, chloride (1:1)
CAS No: 29199-61-9 Catalog No: AG002XN5 MDL No:
Product Description
Catalog Number:
AG002XN5
Chemical Name:
Ethanaminium, 2-[(2,6-dimethylphenyl)amino]-N,N-diethyl-N-methyl-2-oxo-, chloride (1:1)
CAS Number:
29199-61-9
Molecular Formula:
C15H25ClN2O
Molecular Weight:
284.8248
IUPAC Name:
[2-(2,6-dimethylanilino)-2-oxoethyl]-diethyl-methylazanium;iodide
InChI:
InChI=1S/C15H24N2O.HI/c1-6-17(5,7-2)11-14(18)16-15-12(3)9-8-10-13(15)4;/h8-10H,6-7,11H2,1-5H3;1H
InChI Key:
QLXGAILYZFJDSH-UHFFFAOYSA-N
SMILES:
CC[N+](CC(=O)Nc1c(C)cccc1C)(CC)C.[Cl-]
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.101g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.282g/mol
Monoisotopic Mass:
376.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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