3-(Aminomethyl)phenol
PubChem CID: 735894
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| Compound Synonyms | 3-(aminomethyl)phenol, 73604-31-6, 3-Hydroxybenzylamine, MFCD00798977, CHEMBL4069065, Phenol, 3-(aminomethyl)-, 73804-31-6, 3-aminomethyl-phenol, 3-Aminomethyl phenol, 3-hydroxy-benzylamine, phenol, 3-aminomethyl-, NoName_3499, Oprea1_183112, SCHEMBL138953, DTXSID90902923, CHEBI:125604, JNZYADHPGVZMQK-UHFFFAOYSA-N, 3-(aminomethyl)phenol, AldrichCPR, BDBM50266949, AKOS000142955, FA70624, HY-W069508, PS-3756, SB75425, SY005415, DB-074717, DB-348285, CS-0079906, EN300-51749, doi:10.14272/JNZYADHPGVZMQK-UHFFFAOYSA-N.1, BRD-K63116520-001-01-2, Q27216219, 674-286-6, 811-485-0 |
|---|---|
| Topological Polar Surface Area | 46.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 85.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(aminomethyl)phenol |
| Prediction Hob | 1.0 |
| Target Id | NPT4418 |
| Xlogp | 0.2 |
| Molecular Formula | C7H9NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | JNZYADHPGVZMQK-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | 0.387 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.199 |
| Compound Name | 3-(Aminomethyl)phenol |
| 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 |
| Esol | -1.1757943333333332 |
| Inchi | InChI=1S/C7H9NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H,5,8H2 |
| Smiles | C1=CC(=CC(=C1)O)CN |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cinnamomum Glanduliferum (Plant) Rel Props:Source_db:cmaup_ingredients