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Isoquinoline,1,2,3,4-tetrahydro-7-methoxy-, hydrochloride (1:1) (1745-05-7)

Identification
Name:Isoquinoline,1,2,3,4-tetrahydro-7-methoxy-, hydrochloride (1:1)
Synonyms:Isoquinoline,1,2,3,4-tetrahydro-7-methoxy-, hydrochloride (6CI,7CI,8CI,9CI);7-Methoxy-1,2,3,4-tetrahydroisoquinolinehydrochloride;Weberidine hydrochloride;
CAS:1745-05-7
Molecular Formula: C10H13NO.HCl
Molecular Weight: 199.68
InChI: InChI=1/C10H13NO.ClH/c1-12-10-3-2-8-4-5-11-7-9(8)6-10;/h2-3,6,11H,4-5,7H2,1H3;1H
Molecular Structure: (C10H13NO.HCl) Isoquinoline,1,2,3,4-tetrahydro-7-methoxy-, hydrochloride (6CI,7CI,8CI,9CI);7-Methoxy-1,2,3,4-tetrah...
Properties
Flash Point: 109.2°C
Boiling Point: 283.6°Cat760mmHg
Density:1.044g/cm3
Specification:

The CAS register number of 7-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride is 1745-05-7. It also can be called as Isoquinoline,1,2,3,4-tetrahydro-7-methoxy-, hydrochloride (1:1) and the IUPAC name about this chemical is 7-methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride.

Physical properties about 7-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride are: (1)ACD/LogP: 1.32; (2)ACD/LogD (pH 5.5): -1.75; (3)ACD/LogD (pH 7.4): -0.94; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 12.47Å2; (12)Flash Point: 109.2 °C; (13)Enthalpy of Vaporization: 52.25 kJ/mol; (14)Boiling Point: 283.6 °C at 760 mmHg; (15)Vapour Pressure: 0.00313 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O(c1ccc2c(c1)CNCC2)C
(2)InChI: InChI=1/C10H13NO.ClH/c1-12-10-3-2-8-4-5-11-7-9(8)6-10;/h2-3,6,11H,4-5,7H2,1H3;1H
(3)InChIKey: RKDJBXYFUGOJRU-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C10H13NO.ClH/c1-12-10-3-2-8-4-5-11-7-9(8)6-10;/h2-3,6,11H,4-5,7H2,1H3;1H
(5)Std. InChIKey: RKDJBXYFUGOJRU-UHFFFAOYSA-N

Flash Point: 109.2°C
Safety Data
 

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