| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 12 | Yes |
Popular Name: Tryptamine Tryptamine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 343-94-2 , 61-54-1 , 61-54-1; . , [61-54-1]
"Tryptamine hydrochloride, 98%"
1H-indole-3-ethanamine; 2-(3-indolyl)ethylamine
2-(1H-indol-3-yl)ethan-1-amine
2-(3-Indolyl)ethylamine hydrochloride
3-(2-Aminoethyl)indole hydrochloride
3-(2-Aminoethyl)indole; 61-54-1; C00398; Tryptamine
3-(2-aminoethyl)indole; 61-54-1; tryptamine
CHEBI:46157; CHEBI:15274; CHEBI:27161; CHEBI:9767
Tryptamine Hydrochloride [343-94-2]
Tryptamine hydrochloride, 98+%
TRYPTAMINE HYDROCHLORIDE; [343-94-2]
| 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) | 1.07 | 3.36 | -45.89 | 4 | 2 | 1 | 43 | 161.228 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.34e+00 g/l | DrugBank-experimental |
| Melting_Point | 111-116? | Alfa-Aesar |
| Melting_Point | 111-116° | Alfa-Aesar |
| MP | 113-116° | Oakwood Chemical |
| MP | 114 - 119 | Enamine Building Blocks |
| MP | 114...119 | Enamine Building Blocks |
| MP | 117 | TCI |
| Boiling_Point | 137?/0.15mm | Alfa-Aesar |
| Boiling_Point | 137°/0.15mm | Alfa-Aesar |
| MP | 248 | TCI |
| Melting_Point | 252-255? | Alfa-Aesar |
| Melting_Point | 252-255° | Alfa-Aesar |
| mp | 253 | MolMall (formerly Molecular Diversity Preservation International) |
| Mp [°C] | 253 - 255 | Acros Organics |
| MP | 253-255 °C(lit.) | Indofine |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| UniProt Database Links | AMOH_ARTGO; AMO_ENTAE; AMO_KLEOK; AOC2_HUMAN; AOC2_MOUSE; DDC_BOVIN; DDC_CAEEL; DDC_CATRO; DDC_CAVPO; DDC_DROLE; DDC_DROME; DDC_DROSI; DDC_HUMAN; DDC_MANSE; DDC_MOUSE; DDC_PIG; DDC_RAT; HINT_ECO57; HINT_ECOLI; HINT_SHIFL; INMT_HUMAN; INMT_MOUSE; INMT_PONA | ChEBI |
| UniProt Database Links | AMOH_ARTGO; AMO_ENTAE; AMO_KLEOK; AOC2_HUMAN; AOC2_MOUSE; DDC_BOVIN; DDC_CAEEL; DDC_CAVPO; DDC_DROLE; DDC_DROME; DDC_DROSI; DDC_HUMAN; DDC_MANSE; DDC_MOUSE; DDC_PIG; DDC_RAT; HINT_ECO57; HINT_ECOLI; HINT_SHIFL; INMT_HUMAN; INMT_MOUSE; INMT_PONAB; INMT_RAB | ChEBI |
| Patent Database Links | EP1568770; EP1669079; EP1815846; EP1829527; EP1829528; US2001025052; US2003082830; US2003166619; US2004014720; US2004092557; US2004180863; US2005020659; US2005288260; US2006058367; US2007129360; US2008076796; WO2005034857; WO2005039546; WO2005121143; WO20 | ChEBI |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H319: Causes serious eye irritation; H332: Harmful if inhaled; H335: May cause respiratory irritation; H312: Harmful in contact with skin; H315: Causes skin irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p | Acros Organics |
| therap | psychotropic | MicroSource Spectrum |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| Therapy | Serotonin receptor ligand | SMDC MicroSource |
| Hazard | XN: Harmful | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT1A-1-E | Serotonin 1a (5-HT1a) Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 170 | 0.79 | Binding ≤ 10μM |
| 5HT1B-1-E | Serotonin 1b (5-HT1b) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 36 | 0.87 | Binding ≤ 10μM |
| 5HT1D-1-E | Serotonin 1d (5-HT1d) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 61 | 0.84 | Binding ≤ 10μM |
| 5HT2A-1-E | Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 50 | 0.85 | Binding ≤ 10μM |
| 5HT2B-1-E | Serotonin 2b (5-HT2b) Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 50 | 0.85 | Binding ≤ 10μM |
| 5HT2C-1-E | Serotonin 2c (5-HT2c) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 50 | 0.85 | Binding ≤ 10μM |
| 5HT6R-1-E | Serotonin 6 (5-HT6) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 180 | 0.79 | Binding ≤ 10μM |
| AOFA-1-E | Monoamine Oxidase A (cluster #1 Of 8), Eukaryotic | Eukaryotes | 5400 | 0.61 | Binding ≤ 10μM |
| AOFB-1-E | Monoamine Oxidase B (cluster #1 Of 8), Eukaryotic | Eukaryotes | 5400 | 0.61 | Binding ≤ 10μM |
| NISCH-2-E | Nischarin (cluster #2 Of 4), Eukaryotic | Eukaryotes | 5400 | 0.61 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 170 | 0.79 | Binding ≤ 1μM |
| 5HT1B_HUMAN | P28222 | Serotonin 1b (5-HT1b) Receptor, Human | 36 | 0.87 | Binding ≤ 1μM |
| 5HT1D_HUMAN | P28221 | Serotonin 1d (5-HT1d) Receptor, Human | 23 | 0.89 | Binding ≤ 1μM |
| 5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 50 | 0.85 | Binding ≤ 1μM |
| 5HT2B_RAT | P30994 | Serotonin 2b (5-HT2b) Receptor, Rat | 50 | 0.85 | Binding ≤ 1μM |
| 5HT2C_HUMAN | P28335 | Serotonin 2c (5-HT2c) Receptor, Human | 50 | 0.85 | Binding ≤ 1μM |
| 5HT2C_RAT | P08909 | Serotonin 2c (5-HT2c) Receptor, Rat | 50 | 0.85 | Binding ≤ 1μM |
| 5HT6R_HUMAN | P50406 | Serotonin 6 (5-HT6) Receptor, Human | 180 | 0.79 | Binding ≤ 1μM |
| AOFA_RAT | P21396 | Monoamine Oxidase A, Rat | 5400 | 0.61 | Binding ≤ 10μM |
| AOFB_RAT | P19643 | Monoamine Oxidase B, Rat | 5400 | 0.61 | Binding ≤ 10μM |
| NISCH_HUMAN | Q9Y2I1 | Nischarin, Human | 5400 | 0.61 | Binding ≤ 10μM |
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 170 | 0.79 | Binding ≤ 10μM |
| 5HT1B_HUMAN | P28222 | Serotonin 1b (5-HT1b) Receptor, Human | 36 | 0.87 | Binding ≤ 10μM |
| 5HT1D_HUMAN | P28221 | Serotonin 1d (5-HT1d) Receptor, Human | 23 | 0.89 | Binding ≤ 10μM |
| 5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 2895 | 0.65 | Binding ≤ 10μM |
| 5HT2B_RAT | P30994 | Serotonin 2b (5-HT2b) Receptor, Rat | 2895 | 0.65 | Binding ≤ 10μM |
| 5HT2C_HUMAN | P28335 | Serotonin 2c (5-HT2c) Receptor, Human | 50 | 0.85 | Binding ≤ 10μM |
| 5HT2C_RAT | P08909 | Serotonin 2c (5-HT2c) Receptor, Rat | 2895 | 0.65 | Binding ≤ 10μM |
| 5HT6R_HUMAN | P50406 | Serotonin 6 (5-HT6) Receptor, Human | 180 | 0.79 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| G alpha (s) signalling events | |
| Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2 | |
| Serotonin receptors |
No pre-computed analogs available. Try a structural similarity search.