1.0 2010-04-08 22:09:23 UTC 2015-07-20 22:36:53 UTC FDB010960 2,5-Dimethyl-1H-pyrrole Listed in the EAFUS Food Additive Database (Jan 2001) but with no reported use 1H-Pyrrole, 2,5-dimethyl- 2, 5-Dimethylpyrrole 2,5-Dimethyl-pyrrole 2,5-Dimethylazole 2,5-Dimethylpyrrole Pyrrole, 2,5-dimethyl- Pyrrole, 2,5-dimethyl- (8CI) Pyrrole,2,5-dimethyl C6H9N 95.1424 95.073499293 2,5-dimethyl-1H-pyrrole 2,5-dimethylpyrrole 625-84-3 CC1=CC=C(C)N1 InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3 PAPNRQCYSFBWDI-UHFFFAOYSA-N belongs to the class of organic compounds known as substituted pyrroles. These are heterocyclic compounds containing a pyrrole ring substituted at one or more positions. Substituted pyrroles Organic compounds Organoheterocyclic compounds Pyrroles Substituted pyrroles 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 Substituted pyrrole Liquid logp 1.53 ALOGPS logs 0.22 ALOGPS solubility 1.57e+02 g/l ALOGPS melting_point 7.7 oC logp 1.45 ChemAxon pka_strongest_acidic 17.97 ChemAxon iupac 2,5-dimethyl-1H-pyrrole ChemAxon average_mass 95.1424 ChemAxon mono_mass 95.073499293 ChemAxon smiles CC1=CC=C(C)N1 ChemAxon formula C6H9N ChemAxon inchi InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3 ChemAxon inchikey PAPNRQCYSFBWDI-UHFFFAOYSA-N ChemAxon polar_surface_area 15.79 ChemAxon refractivity 31.12 ChemAxon polarizability 11.49 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5859 Specdb::MsIr 5860 Specdb::MsIr 5861 Specdb::CMs 13829 Specdb::CMs 136966 Specdb::CMs 144700 Specdb::MsMs 76077 Specdb::MsMs 76078 Specdb::MsMs 76079 Specdb::MsMs 135825 Specdb::MsMs 135826 Specdb::MsMs 135827 Specdb::MsMs 3051746 Specdb::MsMs 3051747 Specdb::MsMs 3051748 Specdb::MsMs 3114722 Specdb::MsMs 3114723 Specdb::MsMs 3114724 HMDB32973 #<Reference:0x000055ce33120d98>