6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride supplier

Name
6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
EINECS -0
CAS No. 57196-62-0
Article Data9
CAS DataBase
Density
Solubility
Melting Point 230-232.5°C
Formula C₁₀H₁₃NO^.HCl
Boiling Point 283.6 °C at 760 mmHg
Molecular Weight 199.6773
Flash Point 109.2 °C
Transport Information
Appearance
Safety
Risk Codes 22-51
Molecular Structure
Hazard Symbols Xi
Synonyms Isoquinoline,1,2,3,4-tetrahydro-6-methoxy-, hydrochloride (9CI);6-Methoxy-1,2,3,4-tetrahydroisoquinolinehydrochloride;Longimammatine hydrochloride;
PSA 21.26000
LogP 2.47170

6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride 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.

Product Name

6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride Specification

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