| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 15 | Yes |
Popular Name: 4-(Benzyloxy)aniline 4-(Benzyloxy)aniline
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 51388-20-6 , 6373-46-2 , [51388-20-6] , [6373-46-2]
"4-Benzyloxyaniline hydrochloride, 98%"
4-(Benzyloxy)aniline hydrochloride
4-Aminophenyl benzyl ether hydrochloride
4-Benzyloxyaniline hydrochloride
4-Benzyloxyaniline hydrochloride, 98%
4-Benzyloxyanilinehydrochloride
benzenamine, 4-(phenylmethoxy)-
benzenamine, 4-(phenylmethoxy)-, 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) | 2.67 | 5.64 | -5.02 | 2 | 2 | 0 | 35 | 199.253 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 175°/5mm | Oakwood Chemical |
| Mp [°C] | 228 | Acros Organics |
| MP | 228 - 230 | Enamine Building Blocks |
| MP | 228...230 | Enamine Building Blocks |
| MP | 45-48° | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Matrix Scientific |
| Melting_Point | ca 225? dec. | Alfa-Aesar |
| Melting_Point | ca 225° dec. | Alfa-Aesar |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFB-6-E | Monoamine Oxidase B (cluster #6 Of 8), Eukaryotic | Eukaryotes | 5510 | 0.49 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFB_HUMAN | P27338 | Monoamine Oxidase B, Human | 5510 | 0.49 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2 |
