| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 11 | Yes |
Popular Name: (1H-Indol-3-yl)methanamine (1H-Indol-3-yl)methanamine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1266692-14-1 , 22259-53-6 , 296775-93-4 , [22259-53-6]
(1H-Indol-3-yl)methanamine hydrochloride
1H-indol-3-ylmethanamine hydrochloride
1H-indol-3-ylmethanamine; 3-aminomethylindole; AMI
3-(Aminomethyl)-1H-indole oxalate
3-(Aminomethyl)indole oxalate, 94%
3-(Aminomethyl)indole;3-Indolylmethylamine
| 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) | 1.27 | 2.6 | -44.32 | 4 | 2 | 1 | 43 | 147.201 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 76-78° | Oakwood Chemical |
| Purity | 95% | Fluorochem |
| Purity | 97% | Fluorochem |
| UniProt Database Links | AMI_XENLA; AMI_XENTR; TPA_HUMAN | ChEBI |
| PUBCHEM_PATENT_ID | EP0888344A1; WO1997033887A1 | IBM Patent Data |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; 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 | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFA-1-E | Monoamine Oxidase A (cluster #1 Of 8), Eukaryotic | Eukaryotes | 3440 | 0.70 | Binding ≤ 10μM |
| AOFB-1-E | Monoamine Oxidase B (cluster #1 Of 8), Eukaryotic | Eukaryotes | 3440 | 0.70 | Binding ≤ 10μM |
| NISCH-3-E | Nischarin (cluster #3 Of 4), Eukaryotic | Eukaryotes | 3440 | 0.70 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFA_RAT | P21396 | Monoamine Oxidase A, Rat | 3440 | 0.70 | Binding ≤ 10μM |
| AOFB_RAT | P19643 | Monoamine Oxidase B, Rat | 3440 | 0.70 | Binding ≤ 10μM |
| NISCH_HUMAN | Q9Y2I1 | Nischarin, Human | 3440 | 0.70 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2 |
