1.0 2010-04-08 22:14:30 UTC 2019-11-26 03:17:46 UTC FDB019669 3,5-Dimethyl-2-(1-propenyl)pyrazine Maillard product. Constituent of roasted green tea. 3,5-Dimethyl-2-(1-propenyl)pyrazine is found in tea. C9H12N2 148.205 148.100048394 3,5-dimethyl-2-[(1E)-prop-1-en-1-yl]pyrazine 3,5-dimethyl-2-[(1E)-prop-1-en-1-yl]pyrazine C\C=C\C1=C(C)N=C(C)C=N1 InChI=1S/C9H12N2/c1-4-5-9-8(3)11-7(2)6-10-9/h4-6H,1-3H3/b5-4+ NDDMVJXHROIJBV-SNAWJCMRSA-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 logp 2.07 ALOGPS logs -1.19 ALOGPS solubility 9.52e+00 g/l ALOGPS logp 1.16 ChemAxon pka_strongest_basic 2.08 ChemAxon iupac 3,5-dimethyl-2-[(1E)-prop-1-en-1-yl]pyrazine ChemAxon average_mass 148.205 ChemAxon mono_mass 148.100048394 ChemAxon smiles C\C=C\C1=C(C)N=C(C)C=N1 ChemAxon formula C9H12N2 ChemAxon inchi InChI=1S/C9H12N2/c1-4-5-9-8(3)11-7(2)6-10-9/h4-6H,1-3H3/b5-4+ ChemAxon inchikey NDDMVJXHROIJBV-SNAWJCMRSA-N ChemAxon polar_surface_area 25.78 ChemAxon refractivity 45.84 ChemAxon polarizability 17.43 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8430 Specdb::MsIr 8431 Specdb::CMs 22641 Specdb::CMs 157705 Specdb::NmrOneD 37682 Specdb::NmrOneD 37683 Specdb::NmrOneD 37684 Specdb::NmrOneD 37685 Specdb::NmrOneD 37686 Specdb::NmrOneD 37687 Specdb::NmrOneD 37688 Specdb::NmrOneD 37689 Specdb::NmrOneD 37690 Specdb::NmrOneD 37691 Specdb::NmrOneD 37692 Specdb::NmrOneD 37693 Specdb::NmrOneD 37694 Specdb::NmrOneD 37695 Specdb::NmrOneD 37696 Specdb::NmrOneD 37697 Specdb::NmrOneD 37698 Specdb::NmrOneD 37699 Specdb::NmrOneD 37700 Specdb::NmrOneD 37701 Specdb::MsMs 316270 Specdb::MsMs 316271 Specdb::MsMs 316272 Specdb::MsMs 362470 Specdb::MsMs 362471 Specdb::MsMs 362472 Specdb::MsMs 2742634 Specdb::MsMs 2742635 Specdb::MsMs 2742636 Specdb::MsMs 2940089 Specdb::MsMs 2940090 Specdb::MsMs 2940091 HMDB39987 #<Reference:0x000055ce31bcb5d8> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442