1.0 2010-04-08 22:15:47 UTC 2015-07-21 06:54:04 UTC FDB021560 Isopropylpyrazine Flavouring ingredient (1-Methylethyl)-pyrazine (1-Methylethyl)pyrazine (1-Methylethyl)pyrazine, 9CI 2-(1-Methylethyl)-pyrazine 2-Isopropyl pyrazine 2-Isopropylpyrazine FEMA 3940 Pyrazine, (1-methylethyl)- Pyrazine, 2-(1-methylethyl)- C7H10N2 122.171 122.08439833 2-(propan-2-yl)pyrazine 2-isopropylpyrazine 29460-90-0 CC(C)C1=NC=CN=C1 InChI=1S/C7H10N2/c1-6(2)7-5-8-3-4-9-7/h3-6H,1-2H3 GIMBKDZNMKTZMG-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 logp 1.15 ALOGPS logs -0.09 ALOGPS solubility 9.98e+01 g/l ALOGPS logp 0.91 ChemAxon pka_strongest_basic 1.12 ChemAxon iupac 2-(propan-2-yl)pyrazine ChemAxon average_mass 122.171 ChemAxon mono_mass 122.08439833 ChemAxon smiles CC(C)C1=NC=CN=C1 ChemAxon formula C7H10N2 ChemAxon inchi InChI=1S/C7H10N2/c1-6(2)7-5-8-3-4-9-7/h3-6H,1-2H3 ChemAxon inchikey GIMBKDZNMKTZMG-UHFFFAOYSA-N ChemAxon polar_surface_area 25.78 ChemAxon refractivity 35.54 ChemAxon polarizability 13.58 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13888 Specdb::CMs 159148 Specdb::MsIr 9310 Specdb::MsIr 9311 Specdb::NmrOneD 47562 Specdb::NmrOneD 47563 Specdb::NmrOneD 47564 Specdb::NmrOneD 47565 Specdb::NmrOneD 47566 Specdb::NmrOneD 47567 Specdb::NmrOneD 47568 Specdb::NmrOneD 47569 Specdb::NmrOneD 47570 Specdb::NmrOneD 47571 Specdb::NmrOneD 47572 Specdb::NmrOneD 47573 Specdb::NmrOneD 47574 Specdb::NmrOneD 47575 Specdb::NmrOneD 47576 Specdb::NmrOneD 47577 Specdb::NmrOneD 47578 Specdb::NmrOneD 47579 Specdb::NmrOneD 47580 Specdb::NmrOneD 47581 Specdb::MsMs 50505 Specdb::MsMs 50506 Specdb::MsMs 50507 Specdb::MsMs 159195 Specdb::MsMs 159196 Specdb::MsMs 159197 Specdb::MsMs 2341494 Specdb::MsMs 2341495 Specdb::MsMs 2341496 Specdb::MsMs 2594701 Specdb::MsMs 2594702 Specdb::MsMs 2594703 HMDB41570 #<Reference:0x000055ce304c6fb8> green honey minty nutty