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| CAS No.: | 343-90-8 |
|---|---|
| Name: | 5-FLUOROGRAMINE |
| Molecular Structure: | |
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| Formula: | C11H13FN2 |
| Molecular Weight: | 192.236 |
| Synonyms: | NSC 88621;Indole,3-[(dimethylamino)methyl]-5-fluoro- (6CI,7CI,8CI); |
| Density: | 1.182 g/cm3 |
| Melting Point: | 145-149 °C |
| Boiling Point: | 297.68 °C at 760 mmHg |
| Flash Point: | 133.832 °C |
| Appearance: | White to slightly off-white crystalline powder |
| Hazard Symbols: |
 Xi
|
| PSA: | 19.03000 |
| LogP: | 2.36860 |
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Specification
The 1H-Indole-3-methanamine, 5-fluoro-N, N-dimethyl-, with the CAS registry number of 343-90-8, is also known as 5-Fluorogramine and 3-((Dimethylamino)methyl)-5-fluoroindole. It belongs to the product category of Indoles and Derivatives. This chemical's molecular formula is C11H13FN2 and molecular weight is 192.23. What's more, its IUPAC name is 1-(5-Fluoro-1H-indol-3-yl)-N, N-dimethylmethanamine.
Physical properties about 1H-Indole-3-methanamine, 5-fluoro-N, N-dimethyl- are: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.92; (4)ACD/LogD (pH 7.4): 0.57; (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): 11.35; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 8.17 Å2; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 56.42 cm3; (15)Molar Volume: 162.6 cm3; (16)Polarizability: 22.36×10-24 cm3; (17)Surface Tension: 44.4 dyne/cm; (18)Density: 1.181 g/cm3; (19)Flash Point: 133.8 °C; (20)Enthalpy of Vaporization: 53.75 kJ/mol; (21)Boiling Point: 297.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00133 mmHg at 25 °C; (23)Melting Point: 145-149 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc2c(cc1)ncc2CN(C)C
(2) InChI: InChI=1/C11H13FN2/c1-14(2)7-8-6-13-11-4-3-9(12)5-10(8)11/h3-6,13H,7H2,1-2H3
(3) InChIKey: QNCNSISRJMCGPK-UHFFFAOYAG
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 82mg/kg (82mg/kg) | Psychopharmacologia Vol. 16, Pg. 385, 1970. |