1.0 2010-04-08 22:09:28 UTC 2019-11-26 03:04:34 UTC FDB011112 Methylpyrazine Methylpyrazine is a flavouring agent. It is found in many foods, e.g. bakery products, dairy products, meats, baked or French fried potato, roasted barley, cocoa, coffee, tea, roasted filbert, roasted pecan, peanut, soy products, rum and whisky. 2-Methyl-1,4-diazine 2-Methyl-pyrazine 2-Methylpyrazine FEMA 3309 Methyl-pyrazine Pyrazine, 2-methyl- Pyrazine, methyl- C5H6N2 94.1145 94.053098202 2-methylpyrazine 2-methylpyrazine 109-08-0 CC1=CN=CC=N1 InChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3 CAWHJQAVHZEVTJ-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrazines. Pyrazines are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms. Pyrazines Organic compounds Organoheterocyclic compounds Diazines Pyrazines Aromatic heteromonocyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organonitrogen compound Organopnictogen compound Pyrazine Liquid logp 0.19 ALOGPS logs 0.55 ALOGPS solubility 3.35e+02 g/l ALOGPS melting_point -29 oC logp -0.33 ChemAxon pka_strongest_basic 1.42 ChemAxon iupac 2-methylpyrazine ChemAxon average_mass 94.1145 ChemAxon mono_mass 94.053098202 ChemAxon smiles CC1=CN=CC=N1 ChemAxon formula C5H6N2 ChemAxon inchi InChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3 ChemAxon inchikey CAWHJQAVHZEVTJ-UHFFFAOYSA-N ChemAxon polar_surface_area 25.78 ChemAxon refractivity 26.34 ChemAxon polarizability 9.73 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5951 Specdb::MsIr 5952 Specdb::MsMs 51894 Specdb::MsMs 51895 Specdb::MsMs 51896 Specdb::MsMs 170010 Specdb::MsMs 170011 Specdb::MsMs 170012 Specdb::MsMs 1478830 Specdb::MsMs 1478831 Specdb::MsMs 1478832 Specdb::MsMs 1478833 Specdb::MsMs 1478834 Specdb::MsMs 1478835 Specdb::MsMs 1478836 Specdb::MsMs 1478837 Specdb::MsMs 1478838 Specdb::MsMs 1478839 Specdb::MsMs 1478840 Specdb::MsMs 1478841 Specdb::MsMs 1478842 Specdb::MsMs 1478843 Specdb::MsMs 2351008 Specdb::MsMs 2351009 Specdb::MsMs 2351010 Specdb::MsMs 2588617 Specdb::MsMs 2588618 Specdb::NmrOneD 118058 Specdb::NmrOneD 118059 Specdb::NmrOneD 118060 Specdb::NmrOneD 118061 Specdb::NmrOneD 118062 Specdb::NmrOneD 118063 Specdb::NmrOneD 118064 Specdb::NmrOneD 118065 Specdb::NmrOneD 118066 Specdb::NmrOneD 118067 Specdb::NmrOneD 118068 Specdb::NmrOneD 118069 Specdb::NmrOneD 118070 Specdb::NmrOneD 118071 Specdb::NmrOneD 118072 Specdb::NmrOneD 118073 Specdb::NmrOneD 118074 Specdb::NmrOneD 118075 Specdb::NmrOneD 118076 Specdb::NmrOneD 118077 Specdb::CMs 19748 Specdb::CMs 28909 Specdb::CMs 29393 Specdb::CMs 101297 Specdb::CMs 101298 Specdb::CMs 168581 HMDB33112 #<Reference:0x000055ce31e44530> #<Reference:0x000055ce31e44378> #<Reference:0x000055ce31e441c0> #<Reference:0x000055ce31e44008> #<Reference:0x000055ce31e57e00> #<Reference:0x000055ce31e57c48> #<Reference:0x000055ce31e57a90> #<Reference:0x000055ce31e578d8> #<Reference:0x000055ce31e57720> #<Reference:0x000055ce31e57568> #<Reference:0x000055ce31e57360> Alcoholic beverages Unknown generic Asparagus Type 1 specific Asparagus officinalis 4686 Black tea Type 1 Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Cocoa and cocoa products Unknown generic Cocoa bean Type 1 specific Theobroma cacao 3641 Corn Type 1 specific Zea mays 4577 0.0 0.0 0.0 mg/L Fenugreek Type 1 specific Trigonella foenum-graecum 78534 Green tea Type 1 Herbal tea Type 1 Kohlrabi Type 1 specific Brassica oleracea var. gongylodes 109379 0.008 0.008 0.008 mg/100 g Milk and milk products Unknown generic Mung bean Type 1 specific Vigna radiata 157791 Nuts Unknown generic Pulses Unknown generic Red tea Type 1 Soy bean Type 1 specific Glycine max 3847 Taco Type 2 specific 0.0 0.0 0.0 mg/100 g Tea Type 1 specific Camellia sinensis 4442 Tortilla Type 2 specific 0.0 0.0 0.0 mg/100 g Tortilla chip Type 2 specific chocolate cocoa green nutty peanut popcorn roasted