Tyraminium
PubChem CID: 5249538
Connections displayed (default: 10).
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| Compound Synonyms | tyraminium, 2-(4-hydroxyphenyl)ethylazanium, 4 Hydroxyphenethylamine, para-Tyramine, tyraminium cation, 3bra, tyraminium(1+), (4-hydroxyphenethyl)ammonium, 2-(4-hydroxyphenyl)ethanaminium, CHEBI:327995, 4-Hydroxyphenethylamine ((tyramine), BDBM50067723, 2-(4-Hydroxy-phenyl)-ethyl-ammonium, Q27225727 |
|---|---|
| Topological Polar Surface Area | 47.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 87.3 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-hydroxyphenyl)ethylazanium |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C8H12NO+ |
| Prediction Swissadme | 0.0 |
| Inchi Key | DZGWFCGJZKJUFP-UHFFFAOYSA-O |
| Fcsp3 | 0.25 |
| Logs | -0.616 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.424 |
| Compound Name | Tyraminium |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 138.092 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 138.092 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 138.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.701778 |
| Inchi | InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2/p+1 |
| Smiles | C1=CC(=CC=C1CC[NH3+])O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Victorialis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Capsella Bursa-Pastoris (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Chelidonium Majus (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Datura Inoxia (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Hordeum Vulgare (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Lophophora Williamsii (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Silybum Marianum (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Typha Angustata (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Viscum Album (Plant) Rel Props:Source_db:cmaup_ingredients