1.0 2016-09-30 22:38:26 UTC 2020-05-11 22:29:20 UTC BMDB0000906 BMDB00906 Trimethylamine Trimethylamine, also known as (CH3)3N or NME3, belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three alkyl groups bonded to the amino nitrogen. Trimethylamine exists as a solid, possibly soluble (in water), and a very strong basic compound (based on its pKa) molecule. Trimethylamine exists in all living organisms, ranging from bacteria to humans. Trimethylamine is a potentially toxic compound. (CH3)3N N(CH3)3 N,N,N-Trimethylamine N,N-Dimethylmethanamine NMe3 TMA Tridimethylaminomethane Trimethylamin Dimethylmethaneamine N,N-Dimethyl-methanamine N-Trimethylamine Trimethylamine anhydrous Trimethylamine aqueous solution HI OF trimethylamine HCL OF Trimethylamine HBR OF Trimethylamine C3H9N 59.1103 59.073499293 trimethylamine trimethylamine 75-50-3 CN(C)C InChI=1S/C3H9N/c1-4(2)3/h1-3H3 GETQZCLCWQTVFV-UHFFFAOYSA-N belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three alkyl groups bonded to the amino nitrogen. Organic compounds Organic nitrogen compounds Organonitrogen compounds Amines Trialkylamines Hydrocarbon derivatives Organopnictogen compounds Aliphatic acyclic compound Hydrocarbon derivative Organopnictogen compound Tertiary aliphatic amine Aliphatic acyclic compounds methylamines tertiary amine Liquid melting_point -117.1 °C water_solubility 890.0 mg/mL logp 0.16 HANSCH,C ET AL. (1995) logp -0.14 ALOGPS logs 1.04 ALOGPS logp 0.19 ChemAxon pka_strongest_basic 9.57 ChemAxon iupac trimethylamine ChemAxon average_mass 59.1103 ChemAxon mono_mass 59.073499293 ChemAxon smiles CN(C)C ChemAxon formula C3H9N ChemAxon inchi InChI=1S/C3H9N/c1-4(2)3/h1-3H3 ChemAxon inchikey GETQZCLCWQTVFV-UHFFFAOYSA-N ChemAxon polar_surface_area 3.24 ChemAxon refractivity 19.99 ChemAxon polarizability 7.64 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrTwoD 1046 Specdb::NmrTwoD 1539 Specdb::EiMs 286 Specdb::CMs 5676 Specdb::CMs 29402 Specdb::CMs 99629 Specdb::CMs 163727 Specdb::MsMs 1292 Specdb::MsMs 1293 Specdb::MsMs 1294 Specdb::MsMs 4872 Specdb::MsMs 240160 Specdb::MsMs 240161 Specdb::MsMs 240162 Specdb::MsMs 242215 Specdb::MsMs 242216 Specdb::MsMs 242217 Specdb::MsMs 2226564 Specdb::MsMs 2228136 Specdb::MsMs 2230536 Specdb::MsMs 2766674 Specdb::MsMs 2766675 Specdb::MsMs 2766676 Specdb::MsMs 2911898 Specdb::MsMs 2911899 Specdb::MsMs 2911900 Specdb::MsIr 961 Specdb::MsIr 962 Specdb::NmrOneD 1284 Specdb::NmrOneD 1598 Specdb::NmrOneD 2619 Specdb::NmrOneD 21022 Specdb::NmrOneD 21023 Specdb::NmrOneD 21024 Specdb::NmrOneD 21025 Specdb::NmrOneD 21026 Specdb::NmrOneD 21027 Specdb::NmrOneD 21028 Specdb::NmrOneD 21029 Specdb::NmrOneD 21030 Specdb::NmrOneD 21031 Specdb::NmrOneD 21032 Specdb::NmrOneD 21033 Specdb::NmrOneD 21034 Specdb::NmrOneD 21035 Specdb::NmrOneD 21036 Specdb::NmrOneD 21037 Specdb::NmrOneD 21038 Specdb::NmrOneD 21039 Specdb::NmrOneD 21040 Specdb::NmrOneD 21041 Specdb::NmrOneD 166464 Blood Samples collected from 54 Holstein cows Maher AD, Hayes B, Cocks B, Marett L, Wales WJ, Rochfort SJ: Latent biochemical relationships in the blood-milk metabolic axis of dairy cows revealed by statistical integration of 1H NMR spectroscopic data. J Proteome Res. 2013 Mar 1;12(3):1428-35. doi: 10.1021/pr301056q. Epub 2013 Feb 21. 23394630 Blood Detected by NMR in lactating Holstein cows. Tian H, Wang W, Zheng N, Cheng J, Li S, Zhang Y, Wang J: Identification of diagnostic biomarkers and metabolic pathway shifts of heat-stressed lactating dairy cows. J Proteomics. 2015 Jul 1;125:17-28. doi: 10.1016/j.jprot.2015.04.014. Epub 2015 Apr 22. 25913299 Epidermis Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Milk By UPLC-Q-TOF Pan L, Yu J, Mi Z, Mo L, Jin H, Yao C, Ren D, Menghe B: A Metabolomics Approach Uncovers Differences between Traditional and Commercial Dairy Products in Buryatia (Russian Federation). Molecules. 2018 Mar 22;23(4). pii: molecules23040735. doi: 10.3390/molecules23040735. 29565828 Milk Maher AD, Hayes B, Cocks B, Marett L, Wales WJ, Rochfort SJ: Latent biochemical relationships in the blood-milk metabolic axis of dairy cows revealed by statistical integration of 1H NMR spectroscopic data. J Proteome Res. 2013 Mar 1;12(3):1428-35. doi: 10.1021/pr301056q. Epub 2013 Feb 21. 23394630 Ruminal Fluid Detected by NMR in mid-lactating primiparous Holstein cows. Zhao S, Zhao J, Bu D, Sun P, Wang J, Dong Z: Metabolomics analysis reveals large effect of roughage types on rumen microbial metabolic profile in dairy cows. Lett Appl Microbiol. 2014 Jul;59(1):79-85. doi: 10.1111/lam.12247. Epub 2014 Apr 4. 24617926 Skeletal Muscle Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 1114 FDB011944 C00565 1146 18139 C00001433 Trimethylamine 3772 TRIMETHYLAMINE Hirohata, Saneo; Tanba, Kiyonobu; Inoue, Kenichi. Preparation of trimethylamine by zeolite-catalyzed reaction of methanol and ammonia. Jpn. Kokai Tokkyo Koho (2006), 5pp. Maher AD, Hayes B, Cocks B, Marett L, Wales WJ, Rochfort SJ: Latent biochemical relationships in the blood-milk metabolic axis of dairy cows revealed by statistical integration of 1H NMR spectroscopic data. J Proteome Res. 2013 Mar 1;12(3):1428-35. doi: 10.1021/pr301056q. Epub 2013 Feb 21. 23394630 Pan L, Yu J, Mi Z, Mo L, Jin H, Yao C, Ren D, Menghe B: A Metabolomics Approach Uncovers Differences between Traditional and Commercial Dairy Products in Buryatia (Russian Federation). Molecules. 2018 Mar 22;23(4). pii: molecules23040735. doi: 10.3390/molecules23040735. 29565828