| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 14th, 2005 | 8 | Yes |
Popular Name: 4-Aminophenol 4-Aminophenol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 123-09-1 , 123-30-8 , 15658-52-3 , 285132-88-9 , 51-78-5 , 63084-98-0 , 87789-47-7 , [123-09-1] , [123-30-8]
123-30-8; 4-Aminobenzenol; 4-Aminophenol; 4-Hydroxyaniline; C02372; p-Aminophenol
4-Aminophenol hydrochloride; >99%
4-aminophenol; p-hydroxyaniline
4-Hydroxyaniline hydrochloride
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.53 | -0.49 | -4.34 | 3 | 2 | 0 | 46 | 109.128 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 186-190? | Alfa-Aesar |
| Melting_Point | 186-190° | Alfa-Aesar |
| MP | 187 | TCI |
| Mp [°C] | 187 - 191 | Acros Organics |
| BP [°C] | 284 | Acros Organics |
| Boiling_Point | 284? dec. | Alfa-Aesar |
| Boiling_Point | 284° dec. | Alfa-Aesar |
| UniProt Database Links | 3HAPM_CUPPJ | ChEBI |
| Purity | 95% | Fluorochem |
| Patent Database Links | EP0937713; EP1090907; EP1422218; EP1598049; EP1669107; EP1752192; EP1760072; EP1762218; EP1779837; EP1992388; GB2194945; GB2224518; US2001004779; US2002102224; US2002144357; US2002144358; US2002193409; US2003041392; US2003070241; US2003110578; US200312111 | ChEBI |
| H phrase | H341: Suspected of causing genetic defects | Acros Organics |
| H phrase | H341: Suspected of causing genetic defects; H410: Very toxic to aquatic life with long lasting effects; H332: Harmful if inhaled; H302: Harmful if swallowed | Acros Organics |
| P phrase | P281: Use personal protective equipment as required | Acros Organics |
| P phrase | P281: Use personal protective equipment as required; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P273: | Acros Organics |
| R phrase | R20/22: Harmful by inhalation and if swallowed. | Acros Organics |
| R phrase | R20/22: Harmful by inhalation and if swallowed.; R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.; R68: Possible risks of irreversible effects. | Acros Organics |
| S phrase | S28A: After contact with skin, wash immediately with plenty of water. | Acros Organics |
| S phrase | S28A: After contact with skin, wash immediately with plenty of water.; S36/37: Wear suitable protective clothing and gloves.; S60: This material and its container must be disposed of as hazardous waste.; S61: Avoid release to the environment. Refer to spe | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| Hazard | XN: Harmful; N: Dangerous for the environment | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH3-1-E | Carbonic Anhydrase III (cluster #1 Of 6), Eukaryotic | Eukaryotes | 9500 | 0.88 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH3_HUMAN | P07451 | Carbonic Anhydrase III, Human | 9500 | 0.88 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Reversible hydration of carbon dioxide |
