1.0 2010-04-08 22:06:01 UTC 2025-11-18 22:54:30 UTC FDB003963 N-Methylaniline N-methylaniline, also known as methylphenylamine or N-methylbenzenamine, is a member of the class of compounds known as phenylalkylamines. Phenylalkylamines are organic amines where the amine group is secondary and linked on one end to a phenyl group and on the other end, to an alkyl group. N-methylaniline is soluble (in water) and a strong basic compound (based on its pKa). N-methylaniline can be found in a number of food items such as carrot, wild carrot, orange bell pepper, and red bell pepper, which makes N-methylaniline a potential biomarker for the consumption of these food products. N-Methylaniline (NMA) is an aniline derivative. It is an organic compound with the chemical formula C6H5NH(CH3). The substance exists as a colorless or slightly yellow viscous liquid and turns brown when exposed to air. The chemical is insoluble in water. It is used as a latent and coupling solvent and is also used as an intermediate for dyes, agrochemicals and other organic products manufacturing. NMA is toxic and exposure can cause damage to the central nervous system and can also cause liver and kidney failure . (methylamino)benzene Aniline, n-methyl- Aniline,n-methyl Anilinomethane Benzenamine, n-methyl- Benzeneamine, n-methyl- Benzenenamine, n-methyl- MA Methylaniline Methylphenylamine Monomethyl aniline Monomethylaniline N-methlaniline N-methyl aniline N-methyl-n-phenylamine N-methylaminobenzene N-methylaniline N-Methylaniline [UN2294] [Poison] N-methylanilinium ion N-methylbenzenamine N-methylphenylamine N-monomethylaniline N-phenylmethylamine C7H9N 107.1531 107.073499293 N-methylaniline methylaniline 100-61-8 CNC1=CC=CC=C1 InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3 AFBPFSWMIHJQDM-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylalkylamines. These are organic amines where the amine group is secondary and linked on one end to a phenyl group and on the other end, to an alkyl group. Phenylalkylamines Organic compounds Organic nitrogen compounds Organonitrogen compounds Amines Aromatic homomonocyclic compounds Aniline and substituted anilines Hydrocarbon derivatives Organopnictogen compounds Secondary alkylarylamines Aniline or substituted anilines Aromatic homomonocyclic compound Benzenoid Hydrocarbon derivative Monocyclic benzene moiety Organopnictogen compound Phenylalkylamine Secondary aliphatic/aromatic amine Secondary amine a small molecule methylaniline phenylalkylamine secondary amine liquid logp 1.68 ALOGPS logs -0.90 ALOGPS solubility 1.34e+01 g/l ALOGPS melting_point -57 oC logp 1.45 ChemAxon pka_strongest_basic 4.68 ChemAxon iupac N-methylaniline ChemAxon average_mass 107.1531 ChemAxon mono_mass 107.073499293 ChemAxon smiles CNC1=CC=CC=C1 ChemAxon formula C7H9N ChemAxon inchi InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3 ChemAxon inchikey AFBPFSWMIHJQDM-UHFFFAOYSA-N ChemAxon polar_surface_area 12.03 ChemAxon refractivity 36.25 ChemAxon polarizability 12.36 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 224357 Specdb::NmrOneD 224358 Specdb::NmrOneD 224359 Specdb::NmrOneD 224360 Specdb::NmrOneD 224361 Specdb::NmrOneD 224362 Specdb::NmrOneD 224363 Specdb::NmrOneD 224364 Specdb::NmrOneD 224365 Specdb::NmrOneD 224366 Specdb::NmrOneD 224367 Specdb::NmrOneD 224368 Specdb::NmrOneD 224369 Specdb::NmrOneD 224370 Specdb::NmrOneD 224371 Specdb::NmrOneD 224372 Specdb::NmrOneD 224373 Specdb::NmrOneD 224374 Specdb::NmrOneD 224375 Specdb::NmrOneD 224376 Specdb::CMs 110066 Specdb::CMs 122973 Specdb::MsMs 1236706 Specdb::MsMs 1236707 Specdb::MsMs 1236708 Specdb::MsMs 1352173 Specdb::MsMs 1352174 Specdb::MsMs 1352175 Specdb::MsMs 2230702 Specdb::MsMs 2232985 Specdb::MsMs 2233551 Specdb::MsMs 2235406 Specdb::MsMs 2252422 Specdb::MsMs 2254083 Specdb::MsMs 2254432 Specdb::MsMs 2256129 Specdb::MsMs 2256438 Specdb::MsMs 2256514 Specdb::MsMs 2258095 Specdb::MsMs 2258171 15733 Black tea Type 1 Cabbage Type 1 specific Brassica oleracea var. capitata 3716 0.03 0.03 0.03 mg/100 g Carrot Type 1 specific Daucus carota ssp. sativus 79200 0.08 0.08 0.08 mg/100 g Green bell pepper Type 1 specific Capsicum annuum 4072 1.31 1.31 1.31 mg/100 g Green tea Type 1 Herbal tea Type 1 Orange bell pepper Type 1 specific Capsicum annuum 4072 1.31 1.31 1.31 mg/100 g Pepper Type 1 specific Capsicum annuum 4072 1.31 1.31 1.31 mg/100 g Red bell pepper Type 1 specific Capsicum annuum 4072 1.31 1.31 1.31 mg/100 g Red tea Type 1 Spinach Type 1 specific Spinacia oleracea 3562 Sweet orange Type 1 specific Citrus sinensis 2711 Tea Type 1 specific Camellia sinensis 4442 White cabbage Type 1 specific Brassica oleracea L. var. capitata L. f. alba DC. 0.03 0.03 0.03 mg/100 g Wild carrot Type 1 specific Daucus carota 4039 0.08 0.08 0.08 mg/100 g Wild celery Type 1 specific Apium graveolens 4045 Yellow bell pepper Type 1 specific Capsicum annuum 4072 1.31 1.31 1.31 mg/100 g