1.0 2010-04-08 22:12:21 UTC 2015-07-20 23:28:30 UTC FDB016306 3-(2-Methylpropyl)pyridine Flavouring ingredient &beta;-isobutylpyridine 3-(2-Methylpropyl)-pyridine 3-Isobutyl-pyridine 3-Isobutylpyridine 3-Isobutylpyridine, 8CI beta -Isobutylpyridine Beta-isobutylpyridine FEMA 3371 Pyridine, 3-(2-methylpropyl)- Pyridine, 3-isobutyl- C9H13N 135.2062 135.104799421 3-(2-methylpropyl)pyridine 3-(2-methylpropyl)pyridine 14159-61-6 CC(C)CC1=CN=CC=C1 InChI=1S/C9H13N/c1-8(2)6-9-4-3-5-10-7-9/h3-5,7-8H,6H2,1-2H3 DEGXTCKEZCCZOP-UHFFFAOYSA-N belongs to the class of organic compounds known as pyridines and derivatives. Pyridines and derivatives are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms. Pyridines and derivatives Organic compounds Organoheterocyclic compounds Pyridines and derivatives 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 Pyridine logp 2.50 ALOGPS logs -1.31 ALOGPS solubility 6.64e+00 g/l ALOGPS logp 2.45 ChemAxon pka_strongest_basic 5.55 ChemAxon iupac 3-(2-methylpropyl)pyridine ChemAxon average_mass 135.2062 ChemAxon mono_mass 135.104799421 ChemAxon smiles CC(C)CC1=CN=CC=C1 ChemAxon formula C9H13N ChemAxon inchi InChI=1S/C9H13N/c1-8(2)6-9-4-3-5-10-7-9/h3-5,7-8H,6H2,1-2H3 ChemAxon inchikey DEGXTCKEZCCZOP-UHFFFAOYSA-N ChemAxon polar_surface_area 12.89 ChemAxon refractivity 42.69 ChemAxon polarizability 16.05 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7498 Specdb::MsIr 7499 Specdb::CMs 23028 Specdb::CMs 161794 Specdb::NmrOneD 139930 Specdb::NmrOneD 139931 Specdb::NmrOneD 139932 Specdb::NmrOneD 139933 Specdb::NmrOneD 139934 Specdb::NmrOneD 139935 Specdb::NmrOneD 139936 Specdb::NmrOneD 139937 Specdb::NmrOneD 139938 Specdb::NmrOneD 139939 Specdb::NmrOneD 139940 Specdb::NmrOneD 139941 Specdb::NmrOneD 139942 Specdb::NmrOneD 139943 Specdb::NmrOneD 139944 Specdb::NmrOneD 139945 Specdb::NmrOneD 139946 Specdb::NmrOneD 139947 Specdb::NmrOneD 139948 Specdb::NmrOneD 139949 Specdb::MsMs 73692 Specdb::MsMs 73693 Specdb::MsMs 73694 Specdb::MsMs 132918 Specdb::MsMs 132919 Specdb::MsMs 132920 Specdb::MsMs 3046480 Specdb::MsMs 3046481 Specdb::MsMs 3046482 Specdb::MsMs 3094498 Specdb::MsMs 3094499 Specdb::MsMs 3094500 HMDB37287 #<Reference:0x000055ce31d5b420> aromatic strong