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| CAS No.: | 57196-62-0 |
|---|---|
| Name: | 6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C10H13NO.HCl |
| Molecular Weight: | 199.6773 |
| Synonyms: | Isoquinoline,1,2,3,4-tetrahydro-6-methoxy-, hydrochloride (9CI);6-Methoxy-1,2,3,4-tetrahydroisoquinolinehydrochloride;Longimammatine hydrochloride; |
| EINECS: | -0 |
| Melting Point: | 230-232.5°C |
| Boiling Point: | 283.6 °C at 760 mmHg |
| Flash Point: | 109.2 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 22-51 |
| PSA: | 21.26000 |
| LogP: | 2.47170 |
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Specification
The 6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride with the CAS number 57196-62-0 is also called Isoquinoline,1,2,3,4-tetrahydro-6-methoxy-, hydrochloride (1:1). The IUPAC name is 6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium chloride. Its molecular formula is C10H13NO.HCl. The product category is API intermediates.
The properties of the chemical are: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.76; (4)ACD/LogD (pH 7.4): -1.17; (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: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Enthalpy of Vaporization: 52.25 kJ/mol; (14)Vapour Pressure: 0.00313 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].O(c1ccc2c(c1)CC[NH2+]C2)C
(2)InChI: InChI=1/C10H13NO.ClH/c1-12-10-3-2-9-7-11-5-4-8(9)6-10;/h2-3,6,11H,4-5,7H2,1H3;1H
(3)InChIKey: QIUIKPQXMJJOQT-UHFFFAOYAM
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | parenteral | 120mg/kg (120mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: IRRITABILITY | Journal of Pharmacology and Experimental Therapeutics. Vol. 62, Pg. 165, 1938. |