Guanidine
PubChem CID: 3520
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| Compound Synonyms | guanidine, 113-00-8, Iminourea, Aminomethanamidine, Carbamidine, Imidourea, Aminoformamidine, Carbamamidine, Guanidin, CHEBI:42820, EINECS 204-021-8, JU58VJ6Y3B, BRN 0506044, H2N-C(=NH)-NH2, HSDB 7603, GUANIDINE [MI], GUANIDINE [HSDB], GUANIDINE [VANDF], GUANIDINE [WHO-DD], DTXSID0023117, 4-03-00-00148 (Beilstein Handbook Reference), Guanidine, Hydrochloride, Gu, GAI, Guanidine, free base, UNII-JU58VJ6Y3B, GZ6, CHEMBL821, Epitope ID:140101, NCIOpen2_007946, (NH2)2C=NH, DTXCID603117, GTPL4783, BCP26146, BDBM50420178, STL223269, AKOS009031425, DB00536, FG152479, SBI-0207070.P001, CS-0440981, NS00013722, C17349, AB00053583_04, Q183309, BRD-K76037122-001-01-7, BRD-K76037122-001-02-5, A9B89FF5-2922-47CC-82CE-AC4157B624AE, Ribavirin Impurity T, Iminourea, Diaminomethanimine, Guanidinebase, Carbamidine, 204-021-8 |
|---|---|
| Topological Polar Surface Area | 75.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 4.0 |
| Description | Guanidine apparently acts by enhancing the release of acetylcholine following a nerve impulse. It also appears to slow the rates of depolarization and repolarization of muscle cell membranes., Guanidine is a crystalline compound of strong alkalinity formed by the oxidation of guanine. It is used in the manufacture of plastics and explosives. It is found in urine as a normal product of protein metabolism. The molecule was first synthesized in 1861 by the oxidative degradation of an aromatic natural product, guanine, isolated from Peruvian guano. Despite the provocative simplicity of the molecule, the crystal structure was first described 148 years later., Guanidine is a polyamine that can function as a strong organic base existing primarily as guanidium ions at physiological pH. With a pKa of 12.5, guanidine is protonated, with a charge of +1 in physiological conditions. It is found in the urine as a normal product of protein metabolism. It is also used in laboratory research as a protein denaturant. (From Martindale, the Extra Pharmacopoeia, 30th ed and Merck Index, 12th ed). Guanidine is a crystalline compound of strong alkalinity formed by the oxidation of guanine. It is used in the manufacture of plastics and explosives. -- Wikipedia, Guanidines are a group of organic compounds sharing a common functional group with the general structure (R1R2N)(R3R4N)C=N-R5. The central bond within this group is that of an imine, the other recognizable motif within this group is an aminal. Examples of guanidines are arginine, triazabicyclodecene and saxitoxin. other derivatives could include guanidine hydroxide, the active ingredient in some non-lye relaxers. Guanidinium salts are well known for their denaturing action on proteins. Guanidinium chloride is one of the most effective denaturants. In 6 M GndHCl all proteins with an ordered structure lose their structure, and most of them become randomly coiled, that is, they do not contain any residual structure. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 26.3 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Enzyme Uniprot Id | P07998, P78352, Q96A70 |
| Uniprot Id | P05091, Q14353, P07998, O76082, P78352, Q96A70, Q9H015, O15245, Q9BSE5, O15244, O75751, Q63089, Q9R0W2, Q9NPD5, Q9Y6L6, n.a. |
| Iupac Name | guanidine |
| Prediction Hob | 1.0 |
| Class | Guanidines |
| Target Id | NPT1546 |
| Xlogp | -1.3 |
| Superclass | Organonitrogen compounds |
| Subclass | Guanidines |
| Molecular Formula | CH5N3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZRALSGWEFCBTJO-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -1.481 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | -0.911 |
| Synonyms | (4-Aminobutyl) guanidine, (NH2)2C=NH, 1184-68-5 (unspecified sulfate), 1763-07-1 (unspecified phosphate), 50-01-1 (mono-hydrochloride), Aminoformamidine, Aminomethanamidine, Bisguanidinium sulfate, Carbamamidine, Carbamidine, GAI, GU, Guanidin, Guanidine hydrochloride, Guanidine, hydrochloride, Guanidine, sulfate (2:1), Guanidinium sulfate, H2N-C(=NH)-NH2, Imidourea, Iminourea, NSC7296 (SULFATE, 2:1), Gu, H2N-C(=nh)-NH2, Guanidine monohydrate, Guanidine monohydrochloride, Guanidine sulfate, Guanidium chloride, Chloride, guanidinium, Guanidine monohydroiodine, Guanidine sulfate (1:1), Guanidine sulfate (2:1), Guanidine sulfite (1:1), Guanidinium, Hydrochloride, guanidine, Monohydrobromide, guanidine, Monohydrochloride, guanidine, Phosphate, guanidine, Guanidine monohydrobromide, Guanidine phosphate, Monohydroiodine, guanidine, Nitrate, guanidine, Chloride, guanidium, Guanidine nitrate, Guanidinium chloride, Monohydrate, guanidine, Sulfate, guanidine |
| Substituent Name | Guanidine, Carboximidamide, Hydrocarbon derivative, Imine, Aliphatic acyclic compound |
| Compound Name | Guanidine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 59.0483 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 59.0483 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 59.07 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | 0.6379536 |
| Inchi | InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4) |
| Smiles | C(=N)(N)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Guanidines |
- 1. Outgoing r'ship
FOUND_INto/from Astragalus Oxyphysus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Centaurea Glastifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Cuscuta Reflexa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Eriobotrya Japonica (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Euphorbia Armena (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Galanthus Nivalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all - 8. Outgoing r'ship
FOUND_INto/from Grindelia Havardii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Hydrodictyon Reticulatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Malus Domestica (Plant) Rel Props:Source_db:fooddb_chem_all - 11. Outgoing r'ship
FOUND_INto/from Nephelium Maingayi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Source_db:fooddb_chem_all - 13. Outgoing r'ship
FOUND_INto/from Phellodendron Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Plantago Depressa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Polyscias Scutellaria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Prunus Dulcis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Pyrus Pyraster (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Senecio Candollei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all