gamma-Aminobutyric acid hydrochloride
PubChem CID: 210329
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| Compound Synonyms | 5959-35-3, 4-aminobutanoic acid hydrochloride, gamma-Aminobutyric acid hydrochloride, 4-Aminobutyric acid hydrochloride, GABA hydrochloride, 4-Aminobutyric acid HCl, 4-aminobutanoic acid, hydrochloride, UNII-0S3LEB8Q58, 0S3LEB8Q58, EINECS 227-724-1, Butyric acid, 4-amino-, hydrochloride, Butanoic acid, 4-amino-, hydrochloride, DTXSID50208256, PIPERIDIC ACID HYDROCHLORIDE, 4-AMINO-N-BUTYRIC ACID HYDROCHLORIDE, .GAMMA.-AMINOBUTYRIC ACID HYDROCHLORIDE, .GAMMA.-AMINOBUTYRIC ACID HYDROCHLORIDE [MI], BUTANOIC ACID, 4-AMINO-, HYDROCHLORIDE (1:1), 4-aminobutyrate hydrochloride, SCHEMBL115987, CHEMBL5483025, DTXCID70130747, AKOS024400865, CCG-213774, DB-195368, CS-0259736, NS00083005, EN300-7409456, Q27237169 |
|---|---|
| Topological Polar Surface Area | 63.3 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 62.7 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-aminobutanoic acid, hydrochloride |
| Prediction Hob | 1.0 |
| Molecular Formula | C4H10ClNO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QPGLUEKHBNOAHG-UHFFFAOYSA-N |
| Fcsp3 | 0.75 |
| Logs | 0.681 |
| Rotatable Bond Count | 3.0 |
| Logd | -1.383 |
| Compound Name | gamma-Aminobutyric acid hydrochloride |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 139.04 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 139.04 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 139.58 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.9856916 |
| Inchi | InChI=1S/C4H9NO2.ClH/c5-3-1-2-4(6)7, /h1-3,5H2,(H,6,7), 1H |
| Smiles | C(CC(=O)O)CN.Cl |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hemerocallis Fulva (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Prunus Salicina (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Rehmannia Glutinosa (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Saccharum Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Setaria Italica (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Trichosanthes Kirilowii (Plant) Rel Props:Source_db:cmaup_ingredients