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| CAS No.: | 56-69-9 |
|---|---|
| Name: | 5-Hydroxytryptophan |
| Article Data: | 19 |
| Molecular Structure: | |
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|
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| Formula: | C11H12N2O3 |
| Molecular Weight: | 220.228 |
| Synonyms: | DL-5-HTP;DL-5-Hydroxytryptophan;DL-Hydroxytryptophan;NSC 92523; |
| EINECS: | 200-284-8 |
| Density: | 1.484 g/cm3 |
| Melting Point: | 298-300 °C |
| Boiling Point: | 520.6 °C at 760 mmHg |
| Flash Point: | 268.7 °C |
| Solubility: | Soluble in water (4 mg/ml at 25°C), methanol. |
| Appearance: | White powder |
| Safety: | 24/25-22 |
| Transport Information: | UN 2811 |
| PSA: | 99.34000 |
| LogP: | 1.52820 |
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- 56-69-9
5-hydroxytryptophan
| Conditions | Yield |
|---|---|
| With mannitol; succinic acid; Claviceps sp. PRL 1980 In water at 25℃; for 360h; |
- 100-22-1
N,N,N',N'-tetramethyl-para-phenylenediamine
- 126216-42-0
5-Hydroxytryptophan radical
A
- 100-22-1
N,N,N',N'-Tetramethyl-benzene-1,4-diamine
B
- 56-69-9
5-hydroxytryptophan
| Conditions | Yield |
|---|---|
| With potassium hydroxide In water Rate constant; Equilibrium constant; Irradiation; |
- 619-60-3
4-(N,N-dimethylamino)phenol
- 126216-42-0
5-Hydroxytryptophan radical
A
- 54737-34-7
4-(N,N-dimethylamino)phenoxyl radical
B
- 56-69-9
5-hydroxytryptophan
| Conditions | Yield |
|---|---|
| With potassium hydroxide In water Rate constant; Equilibrium constant; Irradiation; |
- 126216-42-0
5-Hydroxytryptophan radical
- 150-76-5
4-methoxy-phenol
A
- 6119-32-0
4-methoxyphenoxyl
B
- 56-69-9
5-hydroxytryptophan
| Conditions | Yield |
|---|---|
| With potassium hydroxide In water Equilibrium constant; Irradiation; |
- 126216-42-0
5-Hydroxytryptophan radical
- 108-46-3
recorcinol
A
- 24856-47-1
3-hydroxy-phenyloxyl
B
- 56-69-9
5-hydroxytryptophan
| Conditions | Yield |
|---|---|
| With potassium hydroxide In water Equilibrium constant; Irradiation; |
- 56-69-9
5-hydroxytryptophan
| Conditions | Yield |
|---|---|
| With ethanol; palladium Hydrogenation; | |
| With sodium hydroxide; palladium Hydrogenation; |
| Conditions | Yield |
|---|---|
| With thionyl chloride at 0 - 20℃; for 17h; Under N2; | 100% |
| With thionyl chloride at 50℃; for 7.16h; Inert atmosphere; Cooling with ice; | 99.2% |
| Conditions | Yield |
|---|---|
| With triethylamine In N,N-dimethyl-formamide at 140℃; for 4h; | 96% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride In dimethyl sulfoxide at 0 - 20℃; for 3.75h; Reflux; | 96% |
- 58632-95-4
2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile
- 56-69-9
5-hydroxytryptophan
| Conditions | Yield |
|---|---|
| With triethylamine In 1,4-dioxane; water at 20℃; Inert atmosphere; | 94% |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The 5-HTP is an organic compound with the formula C11H12N2O3. The IUPAC name of this chemical is 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid. With the CAS registry number 56-69-9 and EINECS 200-284-8, it is also named as 5-Hydroxytryptophan. The product's category is Standard Extract. In addition, when using it, people should not breathe dust and avoid contact with skin and eyes. When heated to decomposition it emits toxic fumes of NOx.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.14; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.63; (4)ACD/LogD (pH 7.4): -2.64; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 43.7 Å2; (13)Index of Refraction: 1.737; (14)Molar Refractivity: 59.65 cm3; (15)Molar Volume: 148.3 cm3; (16)Surface Tension: 85 dyne/cm; (17)Enthalpy of Vaporization: 83.55 kJ/mol; (18)Vapour Pressure: 1.15E-11 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Tautomer Count: 9; (21)Exact Mass: 220.084792; (22)MonoIsotopic Mass: 220.084792; (23)Topological Polar Surface Area: 99.3; (24)Heavy Atom Count: 16; (25)Complexity: 272.
Uses of 5-HTP: It is used as an antidepressant, appetite suppressant, and sleep aid. The psychoactive action of 5-HTP is derived from its effect on the production of serotonin in central nervous system tissue. More specifically, 5-HTP increases the production of serotonin.
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People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)C(N)Cc2c1cc(O)ccc1nc2
2. InChI:InChI=1/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)
3. InChIKey:LDCYZAJDBXYCGN-UHFFFAOYAF
The following are the toxicity data which has been tested.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 200mg/kg (200mg/kg) | National Technical Information Service. Vol. AD277-689, |