AG003T0W

76902-32-4 | N-Ethyltoluenesulfonamide (o- and p- mixture)

AG003T0W

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CAS Number	76902-32-4
Catalog Number	AG003T0W(AGN-PC-0UANVP)
Chemical Name	N-Ethyltoluenesulfonamide (o- and p- mixture)
IUPAC Name	N-ethyl-2-methylbenzenesulfonamide;N-ethyl-4-methylbenzenesulfonamide
InChI	InChI=1S/2C9H13NO2S/c1-3-10-13(11,12)9-6-4-8(2)5-7-9;1-3-10-13(11,12)9-7-5-4-6-8(9)2/h2*4-7,10H,3H2,1-2H3
InChI Key	IDLSDSKPHLCUTN-UHFFFAOYSA-N
MDL Number	MFCD00152499
Molecular Formula	C18H26N2O4S2
Molecular Weight	398.5400
NSC Number	67979
SMILES	O=S(C1=CC=CC=C1C)(NCC)=O.O=S(C2=CC=C(C)C=C2)(NCC)=O
UNII	X3491OQT7S
Synonyms	76902-32-4, N-Ethyltoluenesulfonamide (o- and p- mixture), NSC67979, AC1L6OOX, n-ethyltoluene sulphonamide, UNII-X3491OQT7S, X3491OQT7S, MFCD00152499, NSC-67979, AKOS027250859, Benzenesulfonamide, N-ethyl-ar-methyl-, ACM26914523, KS-000016N5, AK176401, N-Ethyltoluenesulfonamide(o-andp-mixture), N-Ethyltoulenesulfonamide (o- p- mixture), AI3-09477, E0187, FT-0668405, ST24025645, Toluenesulfonamide, n-ethyl-, (mixture of o- and p-), Toluenesulfonamide, n-ethyl-, (mixture of o-and p-), N-ethyl-2-methylbenzenesulfonamide; N-ethyl-4-methylbenzenesulfonamide, N-ethyl-2-methylbenzene-1-sulfonamide; N-ethyl-4-methylbenzene-1-sulfonamide, N-Ethyltoluenesulfonamide, ETHYLTOULENESULFONAMIDE, N-Ethyl-3-methylbenzenesulfonamide, CID249542, 26914-52-3, 8047-99-2,

Complexity	478
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	398.133g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	398.536g/mol
Monoisotopic Mass	398.133g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	109A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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