Trimethylamine
PubChem CID: 1146
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| Compound Synonyms | trimethylamine, N,N-dimethylmethanamine, 75-50-3, Methanamine, N,N-dimethyl-, N-Trimethylamine, Dimethylmethaneamine, Trimethylamin, (CH3)3N, FEMA No. 3241, FEMA Number 3241, N,N,N-trimethylamine, NMe3, Trimethylamine anhydrous, CCRIS 6283, HSDB 808, trimethyl-amine, AI3-15639, EINECS 200-875-0, UNII-LHH7G8O305, UN1083, UN1297, TRIMETHYLAMINUM, LHH7G8O305, tridimethylaminomethane, DTXSID2026238, CHEBI:18139, Trimethylamine, anhydrous, Methylamine, N,N-dimethyl-, DTXCID106238, N(CH3)3, EC 200-875-0, MFCD00008327, methane, dimethylamino-, Trimethylamine (~25 wt. % solution in methanol), Trimethylamine, anhydrous [UN1083] [Flammable gas], TRIMETHYL AMINE, (CH3)3NH, (CH3)3NH+, Trimethylamine (~30 wt. % Solution in Ethanol), MELDONIUM DIHYDRATE IMPURITY A (EP IMPURITY), MELDONIUM DIHYDRATE IMPURITY A [EP IMPURITY], ACETYLCHOLINE CHLORIDE IMPURITY C (EP IMPURITY), ACETYLCHOLINE CHLORIDE IMPURITY C [EP IMPURITY], tri-methylamine, KEN, Trimethylamine (8CI), N,N-Dimethylmethanamine, N,N,N-Trimethylamine, N-Trimethylamine, Methanamine, N,N-dimethyl-, dimethylamino methane, trimethylamine (tma), N,N-dimethyl-Methanamine, N,N-Dimethylmethanamine #, bmse000224, TRIMETHYLAMINE [MI], NCIOpen2_007868, TRIMETHYLAMINE [FCC], TRIMETHYLAMINE [FHFI], TRIMETHYLAMINE [HSDB], Trimethylamine, >=99.0%, Trimethylamine, >=99.5%, Trimethylamine 2.0M in THF, TRIMETHYLAMINUM [HPUS], CHEMBL439723, GTPL5521, Trimethylamine 2M in Isopropanol, MSK3058, TRIMETHYLAMINE, (ANHYDROUS), Trimethylamine, 43-49% in water, Trimethylamine, anhydrous, >=99%, Tox21_302355, BDBM50416499, NSC101179, STL264242, AKOS000119986, 1ST3058, NSC-101179, UN 1083, UN 1297, CAS-75-50-3, NCGC00255170-01, InChI=1/C3H9N/c1-4(2)3/h1-3H, NS00006832, T0464, T2268, T2704, T2892, T2893, T3567, T3614, T3847, C00565, Trimethylamine (ca.8% in N,N-Dimethylformamide), Q423953, Trimethylamine (ca. 8% in Toluene, ca. 1mol/L), F1908-0091, Trimethylamine (ca. 13% in Acetonitrile, ca. 2mol/L), Trimethylamine (ca. 25% in Isopropyl Alcohol, ca. 3mol/L), Trimethylamine solution (ca. 28% in Water, ca. 4.3mol/L), Trimethylamine solution (ca. 25% in Isopropyl Alcohol, ca. 3mol/L), Trimethylamine, anhydrous, cylinder, with 316SS needle valve, 99%, 200-875-0 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 3.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CNC)C |
| Heavy Atom Count | 4.0 |
| Classyfire Class | Organonitrogen compounds |
| Description | Trimethylamine, also known as NMe3 or TMA, is a nitrogenous base and can be readily protonated to give trimethylammonium cation. Trimethylammonium chloride is a hygroscopic colorless solid prepared from hydrochloric acid. Trimethylamine is a product of decomposition of plants and animals. It is the substance mainly responsible for the fishy odor often associated with fouling fish, bacterial vagina infections, and bad breath. It is also associated with taking large doses of choline (Wikipedia). Trimethylamine is an organic compound with the formula N(CH3)3. This colorless, hygroscopic, and flammable tertiary amine has a strong "fishy" odor in low concentrations and an ammonia-like odor at higher concentrations. It is a gas at room temperature but is usually sold in pressurized gas cylinders or as a 40% solution in water. Trimethylamine has a boiling point of 2.9 degree centigrade. Trimethylamine is a nitrogenous base and its positively charged cation is called trimethylammonium cation. A common salt of trimethylamine is trimethylammonium chloride, a hygroscopic colorless solid (Wikipedia). Trimethylaminuria is a genetic disorder in which the body is unable to metabolize trimethylamine from food sources. Patients develop a characteristic fish odour of their sweat, urine, and breath after the consumption of choline-rich foods. Trimethylaminuria is an autosomal recessive disorder involving a trimethylamine oxidase deficiency. Trimethylaminuria has also been observed in a certain breed of Rhode Island Red chicken that produces eggs with a fishy smell (Wikipedia). Trimethylamine in the urine is a biomarker for the consumption of legumes. Trimethylamine is found in many foods, some of which are fishes, alcoholic beverages, milk and milk products, and rice. |
| Classyfire Subclass | Amines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 8.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P49326, Q99518, P31512, P31513, Q01740, Q8BGY9, Q5QD14, P0DTD1, n.a. |
| Iupac Name | N,N-dimethylmethanamine |
| Prediction Hob | 1.0 |
| Class | Amines |
| Veber Rule | True |
| Classyfire Superclass | Organic nitrogen compounds |
| Xlogp | 0.3 |
| Superclass | Organonitrogen compounds |
| Subclass | Tertiary amines |
| Gsk 4 400 Rule | True |
| Molecular Formula | C3H9N |
| Prediction Swissadme | 0.0 |
| Inchi Key | GETQZCLCWQTVFV-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | 1.091 |
| Rotatable Bond Count | 0.0 |
| State | Liquid |
| Logd | -0.289 |
| Synonyms | (CH3)3N, (CH3)3NH, (CH3)3NH+, 2840-24-6 (hydrobromide), Dimethylmethaneamine, FEMA 3241, HBR of trimethylamine, HCL of trimethylamine, Hi of trimethylamine, Methanamine, n,n-dimethyl-, Methylamine, n,n-dimethyl-, N-trimethylamine, N,n-dimethyl-methanamine, N,n-dimethylmethanamine, N,N-Dimethylmethanamine, 9CI, N,N,N-Trimethylamine, N(CH3)3, NMe3, TMA, TML, Tridimethylaminomethane, Trimethylamin, Trimethylamine anhydrous, Trimethylamine aqueous solution, Trimethylamine-14C hydrochloride, Trimethylamine, anhydrous [UN1083] [Flammable gas], Trimethylamine(alkyl-substituted derivatives), Trimethylammonium chloride, N,N-Dimethylmethanamine, N,N-Dimethyl-methanamine, N-Trimethylamine, HI OF trimethylamine, HCL OF Trimethylamine, HBR OF Trimethylamine, trimethylamine, trimethylamines |
| Substituent Name | Tertiary aliphatic amine, Hydrocarbon derivative, Aliphatic acyclic compound |
| Esol Class | Very soluble |
| Functional Groups | CN(C)C |
| Compound Name | Trimethylamine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 59.0735 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 59.0735 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 59.11 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -0.3702943999999999 |
| Inchi | InChI=1S/C3H9N/c1-4(2)3/h1-3H3 |
| Smiles | CN(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Trialkylamines |
- 1. Outgoing r'ship
FOUND_INto/from Asarum Europaeum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Asarum Sieboldii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Astragalus Oxyphysus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Bupleurum Falcatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Centaurea Glastifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Crataegus Rhipidophylla (Plant) Rel Props:Reference:ISBN:9788172361266; ISBN:9788172362133 - 9. Outgoing r'ship
FOUND_INto/from Cuscuta Reflexa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Euphorbia Armena (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Galanthus Nivalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Grindelia Havardii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Hydrodictyon Reticulatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Ligusticum Chuanxiong (Plant) Rel Props:Source_db:npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Ligusticum Sinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Nephelium Maingayi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Source_db:fooddb_chem_all - 18. Outgoing r'ship
FOUND_INto/from Plantago Depressa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Polyscias Scutellaria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Prunus Dulcis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Pyrus Pyraster (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
FOUND_INto/from Salvadora Oleoides (Plant) Rel Props:Reference:ISBN:9788172361266 - 23. Outgoing r'ship
FOUND_INto/from Salvadora Persica (Plant) Rel Props:Reference:ISBN:9788172361266 - 24. Outgoing r'ship
FOUND_INto/from Senecio Candollei (Plant) Rel Props:Source_db:npass_chem_all