CAS No.42923-77-3,6-METHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	42923-77-3
Name:	6-METHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
Article Data:	43

Formula:	C₁₀H₁₃NO
Molecular Weight:	163.219
Synonyms:	1,2,3,4-Tetrahydro-6-methoxyisoquinoline;6-Methoxy-3,4-dihydro-1H-isoquinoline;Longimammatine;
EINECS:	-0
Density:	1.044 g/cm³
Boiling Point:	283.615 °C at 760 mmHg
Flash Point:	109.208 °C
PSA:	21.26000
LogP:	1.66970

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Specification

The 6-Methoxy-1,2,3,4-tetrahydroisoquinoline with the CAS number 42923-77-3 is also called Isoquinoline,1,2,3,4-tetrahydro-6-methoxy-. Its molecular formula is C₁₀H₁₃NO. This chemical is irritant. While using this chemical, you should be very cautious.

The properties of the 6-Methoxy-1,2,3,4-tetrahydroisoquinoline are: (1)ACD/LogP: 1.61; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 21.26 Å²; (11)Index of Refraction: 1.532; (12)Molar Refractivity: 48.454 cm³; (13)Molar Volume: 156.298 cm³; (14)Polarizability: 19.209×10^-24cm³; (15)Surface Tension: 36.048 dyne/cm; (16)Enthalpy of Vaporization: 52.255 kJ/mol; (17)Vapour Pressure: 0.003 mmHg at 25°C.

Preparation: This chemical can be prepared by the reaction of 3-methoxy-phenethylamine and formaldehyde. This reaction needs reagent aq. HCl. The yield is 58%.

Uses: This chemical can prepare 6-methoxy-isoquinoline. This reaction needs reagent Raney nickel and naphthalene at temperature of 200 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc2c(c1)CCNC2
(2)InChI: InChI=1/C10H13NO/c1-12-10-3-2-9-7-11-5-4-8(9)6-10/h2-3,6,11H,4-5,7H2,1H3
(3)InChIKey: YYTAYINRPUJPNH-UHFFFAOYAB

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	subcutaneous	120mg/kg (120mg/kg)	AUTONOMIC NERVOUS SYSTEM: CENTRAL SYMPATHOLYTIC	"Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 244, 1948.