1.0 2010-04-08 22:14:51 UTC 2018-05-29 01:45:20 UTC FDB020176 endo-1,4-beta-Xylanase It is used in baked goods and brewing to treat whole grain, grain mashes and doughs to reduce viscosity for processing. Hydrolyses 1,4-b-D-xylosidic linkages in xylans 1,4-b-D-Xylan xylanohydrolase 311-09-1 (di-Chloride) Benzoquinonium E.C. 3.2.1.8 Endoxylanase Pentosanase Xylanase C34H50N4O2 546.7864 546.393376864 benzyl({3-[(4-{[3-(benzyldiethylazaniumyl)propyl]amino}-3,6-dioxocyclohexa-1,4-dien-1-yl)amino]propyl})diethylazanium benzyl({3-[(4-{[3-(benzyldiethylammonio)propyl]amino}-3,6-dioxocyclohexa-1,4-dien-1-yl)amino]propyl})diethylazanium 9025-57-4 CC[N+](CC)(CCCNC1=CC(=O)C(NCCC[N+](CC)(CC)CC2=CC=CC=C2)=CC1=O)CC1=CC=CC=C1 InChI=1S/C34H48N4O2/c1-5-37(6-2,27-29-17-11-9-12-18-29)23-15-21-35-31-25-34(40)32(26-33(31)39)36-22-16-24-38(7-3,8-4)28-30-19-13-10-14-20-30/h9-14,17-20,25-26H,5-8,15-16,21-24,27-28H2,1-4H3/p+2 YERABYSOHUZTPQ-UHFFFAOYSA-P belongs to the class of organic compounds known as phenylmethylamines. Phenylmethylamines are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine. Phenylmethylamines Organic compounds Benzenoids Benzene and substituted derivatives Phenylmethylamines Aromatic homomonocyclic compounds Aralkylamines Benzylamines Dialkylamines Enamines Hydrocarbon derivatives Organic cations Organic oxides Organic salts Organopnictogen compounds P-benzoquinones Tetraalkylammonium salts Vinylogous amides Amine Aralkylamine Aromatic homomonocyclic compound Benzylamine Carbonyl group Cyclic ketone Enamine Hydrocarbon derivative Ketone Organic cation Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organonitrogen compound Organooxygen compound Organopnictogen compound P-benzoquinone Phenylmethylamine Quaternary ammonium salt Quinone Secondary aliphatic amine Secondary amine Tetraalkylammonium salt Vinylogous amide logp 3.06 ALOGPS logs -7.67 ALOGPS solubility 1.33e-05 g/l ALOGPS logp -3.7 ChemAxon pka_strongest_acidic 18.38 ChemAxon pka_strongest_basic -0.16 ChemAxon iupac benzyl({3-[(4-{[3-(benzyldiethylazaniumyl)propyl]amino}-3,6-dioxocyclohexa-1,4-dien-1-yl)amino]propyl})diethylazanium ChemAxon average_mass 546.7864 ChemAxon mono_mass 546.393376864 ChemAxon smiles CC[N+](CC)(CCCNC1=CC(=O)C(NCCC[N+](CC)(CC)CC2=CC=CC=C2)=CC1=O)CC1=CC=CC=C1 ChemAxon formula C34H50N4O2 ChemAxon inchi InChI=1S/C34H48N4O2/c1-5-37(6-2,27-29-17-11-9-12-18-29)23-15-21-35-31-25-34(40)32(26-33(31)39)36-22-16-24-38(7-3,8-4)28-30-19-13-10-14-20-30/h9-14,17-20,25-26H,5-8,15-16,21-24,27-28H2,1-4H3/p+2 ChemAxon inchikey YERABYSOHUZTPQ-UHFFFAOYSA-P ChemAxon polar_surface_area 58.2 ChemAxon refractivity 193.64 ChemAxon polarizability 63.4 ChemAxon rotatable_bond_count 18 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 2 ChemAxon formal_charge 2 ChemAxon Specdb::NmrOneD 40382 Specdb::NmrOneD 40383 Specdb::NmrOneD 40384 Specdb::NmrOneD 40385 Specdb::NmrOneD 40386 Specdb::NmrOneD 40387 Specdb::NmrOneD 40388 Specdb::NmrOneD 40389 Specdb::NmrOneD 40390 Specdb::NmrOneD 40391 Specdb::NmrOneD 40392 Specdb::NmrOneD 40393 Specdb::NmrOneD 40394 Specdb::NmrOneD 40395 Specdb::NmrOneD 40396 Specdb::NmrOneD 40397 Specdb::NmrOneD 40398 Specdb::NmrOneD 40399 Specdb::NmrOneD 40400 Specdb::NmrOneD 40401 HMDB40436 #<Reference:0x000055ce3283af08>