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| CAS No.: | 520-53-6 |
|---|---|
| Name: | PSILOCIN |
| Article Data: | 19 |
| Molecular Structure: | |
|
|
|
| Formula: | C12H16 N2 O |
| Molecular Weight: | 204.272 |
| Synonyms: | Indol-4-ol,3-[2-(dimethylamino)ethyl]- (6CI,8CI); 4-Hydroxy-N,N-dimethyltryptamine; CX 59;N,N-Dimethyl-4-hydroxytryptamine; Psilocin; Psilocine |
| EINECS: | 208-296-5 |
| Density: | 1.178 g/cm3 |
| Melting Point: | 173-176° |
| Boiling Point: | 392.8 °C at 760 mmHg |
| Flash Point: | 191.3 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22 |
| Safety: | A poison by intravenous and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. |
| Transport Information: | UN 1230 3 |
| PSA: | 39.26000 |
| LogP: | 1.97760 |
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This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.
Chemistry
Molecular Formula: C12H16N2O
Molar mass: 204.2682 g/mol
EINECS: 208-296-5
Density: 1.178 g/cm3
Flash Point: 191.3 °C
Index of Refraction: 1.646
Boiling Point: 392.8 °C at 760 mmHg
Vapour Pressure: 9.89E-07 mmHg at 25°C
Storage temp: -20°C
Structure of 4-Hydroxy-N,N-dimethyltryptamine (520-53-6):
XLogP3-AA: 2.1
H-Bond Donor: 2
H-Bond Acceptor: 2
Systematic Name: 3-(2-Dimethylaminoethyl)-1H-indol-4-ol
SMILES: Oc1cccc2c1c(cn2)CCN(C)C
InChI: InChI=1/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
InChIKey: SPCIYGNTAMCTRO-UHFFFAOYAI
Std. InChI: InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
Std. InChIKey: SPCIYGNTAMCTRO-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | ivn-rat LD50:75 mg/kg | PSCBAY Psychopharmacology Service Center, Bulletin. 2 (1963),17. | ||
| 2. | ipr-mus LD50:196 mg/kg | JTEHD6 Journal of Toxicology and Environmental Health. 1 (1976),515. | ||
| 3. | ivn-mus LD50:74 mg/kg | 27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,138. | ||
| 4. | ivn-rbt LD50:7 mg/kg | 27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,138. |
Safety Profile
A poison by intravenous and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
Hazard Codes: Xn.gif){kind=small}
Risk Statements:
22: Harmful if swallowed
Safety Statements:
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
Specification
4-Hydroxy-N,N-dimethyltryptamine (520-53-6) also can be called 3-[2-(Dimethylamino)ethyl]-1H-indol-4-ol ; Indol-4-ol, 3-(2-(dimethylamino)ethyl)- ; 3-(2-(Dimethylamino)ethyl)indol-4-ol and 1H-Indol-4-ol, 3-[2-(dimethylamino)ethyl]- .