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144252-53-9 | 1-Hexanaminium, N,N-dimethyl-N-[2-[(1-oxopropyl)thio]ethyl]-, chloride (1:1)
CAS No: 144252-53-9 Catalog No: AG001J6Z MDL No:
Product Description
Catalog Number:
AG001J6Z
Chemical Name:
1-Hexanaminium, N,N-dimethyl-N-[2-[(1-oxopropyl)thio]ethyl]-, chloride (1:1)
CAS Number:
144252-53-9
Molecular Formula:
C13H28ClNOS
Molecular Weight:
281.8855
IUPAC Name:
hexyl-dimethyl-(2-propanoylsulfanylethyl)azanium;chloride
InChI:
InChI=1S/C13H28NOS.ClH/c1-5-7-8-9-10-14(3,4)11-12-16-13(15)6-2;/h5-12H2,1-4H3;1H/q+1;/p-1
InChI Key:
LBXGXPYJHLZAFB-UHFFFAOYSA-M
SMILES:
CCCCCC[N+](CCSC(=O)CC)(C)C.[Cl-]
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.158g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.883g/mol
Monoisotopic Mass:
281.158g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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