4-Hydroxybenzylamine
PubChem CID: 97472
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4-Hydroxybenzylamine, 4-(aminomethyl)phenol, 696-60-6, 4-Aminomethyl-phenol, 4-(Aminomethyl)-Phenol, p-hydroxybenzylamine, 4-hydroxybenzyl amine, para-Hydroxybenzylamine, 4-HOBA, a-Amino-p-cresol, Phenol, 4-(aminomethyl)-, UNII-7J7F85B7BI, MFCD00870499, 7J7F85B7BI, NSC 125720, NSC-125720, P-(AMINOMETHYL)PHENO, (4-hydroxyphenyl)methanamine, 4-(Aminomethyl)phenol, 9CI, CHEMBL202519, P-HYDROXYBENZENEMETHANAMINE, DTXSID00219872, 4-HYDROXYBENZENEMETHANAMINE, P-CRESOL, .ALPHA.-AMINO-, ((4-HYDROXYPHENYL)METHYL)AMINE, (4-HYDROXYPHENYL)METHANAMINIUM BROMIDE, 4-aminomethylphenol, 4-hyroxybenzylamine, 4-hydroxylbenzylamine, 4-hydroxy benzylamine, 4-(amino methyl)phenol, phenol, 4-aminomethyl-, SCHEMBL63123, P-CRESOL, ALPHA-AMINO-, DTXCID50142363, CHEBI:173335, RQJDUEKERVZLLU-UHFFFAOYSA-N, ALBB-004114, BDBM50177412, CK2396, NSC125720, STK502926, AKOS000131573, CS-W004078, FH09583, HY-W004078, PS-5924, SB38361, AC-16618, BP-21023, PD096512, SY002006, 4-Hydroxybenzylamine, min. 98% by HPLC, DB-055316, A2305, EN300-44825, Q27268396, 671-027-9 |
|---|---|
| Topological Polar Surface Area | 46.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 77.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P51649, P80404, Q9T0N8 |
| Iupac Name | 4-(aminomethyl)phenol |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Target Id | NPT674 |
| Xlogp | 0.0 |
| Superclass | Benzenoids |
| Subclass | Phenylmethylamines |
| Molecular Formula | C7H9NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | RQJDUEKERVZLLU-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | 0.056 |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Logd | -0.035 |
| Synonyms | 4-(Aminomethyl)phenol, 4-(Aminomethyl)-phenol, 4-(Aminomethyl)phenol, 9ci, a-Amino-p-cresol, Para-hydroxybenzylamine, 4-Hydroxybenzylamine hydrochloride, 4-Hydroxybenzylamine, sulfate(2:1) salt, 4-Hydroxybenzylamine |
| Compound Name | 4-Hydroxybenzylamine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 123.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 123.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 123.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -1.0245943333333334 |
| Inchi | InChI=1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H,5,8H2 |
| Smiles | C1=CC(=CC=C1CN)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Phenylmethylamines |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Juncea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Fagopyrum Esculentum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Galeola Faberi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Gastrodia Elata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Sinapis Alba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Urtica Dioica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all