1.0 2010-04-08 22:15:47 UTC 2019-11-26 03:20:33 UTC FDB021561 Propylpyrazine Found in roasted coffee. It is used in food flavouring 2-(N-Propyl)-pyrazine 2-Propyl-pyrazine 2-Propylpyrazine FEMA 3961 N-propylpyrazine Propyl-pyrazine Pyrazine, 2-(n-propyl)- Pyrazine, 2-propyl- Pyrazine, propyl- C7H10N2 122.171 122.08439833 2-propylpyrazine 2-propylpyrazine 18138-03-9 CCCC1=CN=CC=N1 InChI=1S/C7H10N2/c1-2-3-7-6-8-4-5-9-7/h4-6H,2-3H2,1H3 DJLLTFRHLPVCEL-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 1.24 ALOGPS logs -0.16 ALOGPS solubility 8.52e+01 g/l ALOGPS logp 0.81 ChemAxon pka_strongest_basic 1.24 ChemAxon iupac 2-propylpyrazine ChemAxon average_mass 122.171 ChemAxon mono_mass 122.08439833 ChemAxon smiles CCCC1=CN=CC=N1 ChemAxon formula C7H10N2 ChemAxon inchi InChI=1S/C7H10N2/c1-2-3-7-6-8-4-5-9-7/h4-6H,2-3H2,1H3 ChemAxon inchikey DJLLTFRHLPVCEL-UHFFFAOYSA-N ChemAxon polar_surface_area 25.78 ChemAxon refractivity 35.56 ChemAxon polarizability 13.73 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11504 Specdb::CMs 146920 Specdb::MsIr 9312 Specdb::MsIr 9313 Specdb::MsMs 6671 Specdb::MsMs 6672 Specdb::MsMs 6673 Specdb::MsMs 13343 Specdb::MsMs 13344 Specdb::MsMs 13345 Specdb::MsMs 2834466 Specdb::MsMs 2834467 Specdb::MsMs 2834468 Specdb::MsMs 2870492 Specdb::MsMs 2870493 Specdb::MsMs 2870494 Specdb::NmrOneD 47582 Specdb::NmrOneD 47583 Specdb::NmrOneD 47584 Specdb::NmrOneD 47585 Specdb::NmrOneD 47586 Specdb::NmrOneD 47587 Specdb::NmrOneD 47588 Specdb::NmrOneD 47589 Specdb::NmrOneD 47590 Specdb::NmrOneD 47591 Specdb::NmrOneD 47592 Specdb::NmrOneD 47593 Specdb::NmrOneD 47594 Specdb::NmrOneD 47595 Specdb::NmrOneD 47596 Specdb::NmrOneD 47597 Specdb::NmrOneD 47598 Specdb::NmrOneD 47599 Specdb::NmrOneD 47600 Specdb::NmrOneD 47601 HMDB41571 #<Reference:0x000055ce3221fda8> #<Reference:0x000055ce3221fab0> Arabica coffee Type 1 specific Coffea arabica 13443 Coffee and coffee products Unknown generic Robusta coffee Type 1 specific Coffea canephora 49390 green nutty vegetable