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102489-61-2 | Acetamide, 2-[[2-(diethylamino)ethyl]thio]-N-(2-methylphenyl)-, hydrochloride (1:1)
CAS No: 102489-61-2 Catalog No: AG0007KW MDL No:
Product Description
Catalog Number:
AG0007KW
Chemical Name:
Acetamide, 2-[[2-(diethylamino)ethyl]thio]-N-(2-methylphenyl)-, hydrochloride (1:1)
CAS Number:
102489-61-2
Molecular Formula:
C15H25ClN2OS
Molecular Weight:
316.8898
IUPAC Name:
diethyl-[2-[2-(2-methylanilino)-2-oxoethyl]sulfanylethyl]azanium;chloride
InChI:
InChI=1S/C15H24N2OS.ClH/c1-4-17(5-2)10-11-19-12-15(18)16-14-9-7-6-8-13(14)3;/h6-9H,4-5,10-12H2,1-3H3,(H,16,18);1H
InChI Key:
XDYQRFIMJNNIMJ-UHFFFAOYSA-N
SMILES:
CCN(CCSCC(=O)Nc1ccccc1C)CC.Cl
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.138g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.888g/mol
Monoisotopic Mass:
316.138g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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