4-Amino-2,3-xylenol
PubChem CID: 76542
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4-Amino-2,3-dimethylphenol, 4-Amino-2,3-xylenol, 3096-69-3, Phenol, 4-amino-2,3-dimethyl-, EINECS 221-446-4, 4-Hydroxy-2,3-dimethylaniline, DTXSID70184947, NSC 143549, NSC-143549, 2,3-dimethyl-4-hydroxyaniline, MFCD00070554, NSC143549, 4-amino-2.3-xylenol, AAQ44BL4CU, 2,3-Xylenol, 4-amino-, SCHEMBL525507, 2,3-dimethyl-4-amino phenol, DTXCID10107438, AKOS000345096, SB75469, DS-17642, DB-047938, A0961, CS-0113006, NS00029002, C15541, 221-446-4 |
|---|---|
| Topological Polar Surface Area | 46.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 116.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-amino-2,3-dimethylphenol |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Molecular Formula | C8H11NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | UBKPLLYABUUFCE-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -1.67 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.503 |
| Compound Name | 4-Amino-2,3-xylenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 137.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 137.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 137.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7834283999999998 |
| Inchi | InChI=1S/C8H11NO/c1-5-6(2)8(10)4-3-7(5)9/h3-4,10H,9H2,1-2H3 |
| Smiles | CC1=C(C=CC(=C1C)O)N |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients