AG002VJ8

28495-72-9 | Benzenesulfonic acid, 4-methyl-, 2-(1-ethylpropylidene)hydrazide

AG002VJ8

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CAS Number	28495-72-9
Catalog Number	AG002VJ8(AGN-PC-0JP3BP)
Chemical Name	Benzenesulfonic acid, 4-methyl-, 2-(1-ethylpropylidene)hydrazide
IUPAC Name	4-methyl-N-(pentan-3-ylideneamino)benzenesulfonamide
InChI	InChI=1S/C12H18N2O2S/c1-4-11(5-2)13-14-17(15,16)12-8-6-10(3)7-9-12/h6-9,14H,4-5H2,1-3H3
InChI Key	GUEMDXLIHCONOI-UHFFFAOYSA-N
MDL Number	MFCD03367534
Molecular Formula	C12H18N2O2S
Molecular Weight	254.3485
NSC Number	126974
SMILES	CCC(=NNS(=O)(=O)C1=CC=C(C)C=C1)CC
Synonyms	3-Pentanone p-Toluenesulfonylhydrazone, 28495-72-9, NSC126974, AC1L5MZL, 3-Pentanone Tosylhydrazone, ACMC-209h2x, 3-Pentanone tosyl hydrazone, AC1Q6U0D, 4-methyl-N-(pentan-3-ylideneamino)benzenesulfonamide, 4-methyl-n'-(pentan-3-ylidene)benzenesulfonohydrazide, CTK8B1375, DTXSID80298923, ZINC5081743, ANW-26407, MFCD03367534, AKOS000979637, NSC-126974, 2-(Pentan-3-ylidene)-1-tosylhydrazine, TC-115152, P1813, I14-62122, 3-Pentanonep-Toluenesulfonylhydrazone, AR-1G3696, CID277909, 2870-38-4,

Complexity	343
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	254.109g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	254.348g/mol
Monoisotopic Mass	254.109g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	66.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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