CAS No.1745-07-9,6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1745-07-9
Name:	6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE
Article Data:	5

Formula:	C₁₁H₁₅NO₂
Molecular Weight:	193.246
Synonyms:	1,2,3,4-Tetrahydro-6,7-dimethoxyisoquinoline;6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline;6,7-Dimethoxy-3,4-dihydro-1H-isoquinoline;Heliamine;
EINECS:	-0
Density:	1.072 g/cm³
Melting Point:	262 °C
Boiling Point:	314.94 °C at 760 mmHg
Flash Point:	124.732 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	30.49000
LogP:	1.67830

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Specification

The CAS register number of Heliamine is 1745-07-9. It also can be called as Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy- and the IUPAC name about this chemical is 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline. The molecular formula about this chemical is C₁₁H₁₅NO₂and the molecular weight is 193.242300 g/mol. Classification code about this chemical is Drug / Therapeutic Agent.

Physical properties about Heliamine are: (1)ACD/LogP: 1.14; (2)ACD/LogD (pH 5.5): -1.82; (3)ACD/LogD (pH 7.4): -0.47; (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): 2.45; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 21.7Å²; (12)Index of Refraction: 1.523; (13)Molar Refractivity: 55.13 cm³; (14)Molar Volume: 180.3 cm³; (15)Polarizability: 21.85x10^-24cm³; (16)Surface Tension: 35.3 dyne/cm; (17)Enthalpy of Vaporization: 55.61 kJ/mol; (18)Boiling Point: 314.9 °C at 760 mmHg; (19)Vapour Pressure: 0.000451 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1c(OC)cc2c(c1)CNCC2)C
(2)InChI: InChI=1/C11H15NO2/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2/h5-6,12H,3-4,7H2,1-2H3
(3)InChIKey: CEIXWJHURKEBMQ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C11H15NO2/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2/h5-6,12H,3-4,7H2,1-2H3
(5)Std. InChIKey: CEIXWJHURKEBMQ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	subcutaneous	180mg/kg (180mg/kg)	AUTONOMIC NERVOUS SYSTEM: SYMPATHOMIMETIC	"Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 244, 1948.