RefChem:117997

4-chloro-3-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonic acid;2-ethyl-N-(2-ethylhexyl)hexan-1-amine

Also Known As: Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-4-(2-phenyldiazenyl)-1H-pyrazol-1-yl)-, compd. with 2-ethyl-N-(2-ethylhexyl)-1-hexanamine (1:1)|Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl)-, compd. with 2-ethyl-N-(2-ethylhexyl)-1-hexanamine (1:1)|Benzenesulfonic acid, 4-chloro-3-[4,5-dihydro-3-methyl-5-oxo-4-(2-phenyldiazenyl)-1H-pyrazol-1-yl]-, compd. with 2-ethyl-N-(2-ethylhexyl)-1-hexanamine (1:1)|Benzenesulfonic acid, 4-chloro-3-[4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl]-, compd. with 2-ethyl-N-(2-ethylhexyl)-1-hexanamine (1:1)|4-chloro-3-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonic acid; 2-ethyl-N-(2-ethylhexyl)hexan-1-amine|4-Chloro-3-(4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl)benzenesulphonic acid, compound with bis(2-ethylhexyl)amine (1:1)|4-Chloro-3-[3-methyl-5-oxo-4-(phenyldiazenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonic acid--2-ethyl-N-(2-ethylhexyl)hexan-1-amine (1/1)|4-chloro-3-[4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl]benzenesulphonic acid, compound with bis(2-ethylhexyl)amine (1:1)

Molecular Formula	C32H48ClN5O4S
Molecular Weight	633.3115 g/mol
LogP	8.4705
Topological Polar Surface Area	132.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	16
Exact Mass	633.3115
Monoisotopic Mass	633.3115
Heavy Atoms	43
Complexity	828.0

Chemical Identifiers

CAS Number	94236-80-3
SMILES	CCCCC(CC)CNCC(CC)CCCC.CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=C(C=CC(=C3)S(=O)(=O)O)Cl
InChIKey	WHTVZYIBXMALHI-UHFFFAOYSA-N