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3-Nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)benzenesulfonamide

3-Nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)benzenesulfonamide - CAS 1228779-96-1

Catalog:	BB044630
Product Name:	3-Nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)benzenesulfonamide
CAS:	1228779-96-1
Synonyms:	3-nitro-4-((tetrahydro-2H-pyran-4-yl)methylamino)benzenesulfonamide; 3-nitro-4-[(oxan-4-ylmethyl)amino]benzene-1-sulfonamide; Benzenesulfonamide, 3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]-

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	3-nitro-4-(oxan-4-ylmethylamino)benzenesulfonamide
Description:	It is a reagent used in the synthesis of BTK, PI3K and JAK-2 inhibitors.
Molecular Weight:	315.35
Molecular Formula:	C12H17N3O5S
Canonical SMILES:	C1COCCC1CNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]
InChI:	InChI=1S/C12H17N3O5S/c13-21(18,19)10-1-2-11(12(7-10)15(16)17)14-8-9-3-5-20-6-4-9/h1-2,7,9,14H,3-6,8H2,(H2,13,18,19)
InChI Key:	HNQRHNYBVWICKB-UHFFFAOYSA-N
Boiling Point:	542.0±60.0 °C (Predicted)
Melting Point:	188-191 °C
Purity:	≥ 98 % by HPLC
Density:	1.412±0.06 g/cm³ (Predicted)
Solubility:	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance:	Yellow to dark yellow solid

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