Name: 1-METHYL-1,2,3,4-TETRAHYDRO-QUINOXALINE DIHYDROCHLORIDE
SKU: 36438-97-8

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Basic Information

Molecular Structure:
CAS No.:	36438-97-8
Name:	1-METHYL-1,2,3,4-TETRAHYDRO-QUINOXALINE DIHYDROCHLORIDE

Formula:	C₉H₁₂N₂
Molecular Weight:	148.208
Synonyms:	Quinoxaline, 1-methyl-1,2,3,4-tetrahydro-;1-methyl-3,4-dihydro-2H-quinoxaline;Quinoxaline, 1,2,3,4-tetrahydro-4-methyl-;
Density:	1.033 g/cm³
Melting Point:	40.5-42℃
Boiling Point:	268.6 °C at 760 mmHg
Flash Point:	134.2 °C
PSA:	15.27000
LogP:	1.75130

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Specification

The Quinoxaline, 1,2,3,4-tetrahydro-1-methyl-), with the CAS registry number 36438-97-8, is also known as 1-methyl-1,2,3,4-tetrahydroquinoxaline. Its molecular formula is C₉H₁₂N₂ and its IUPAC name is 4-methyl-2,3-dihydro-1H-quinoxaline. Moreover, its molecular weight is 221.13.

Other characteristics of the Quinoxaline, 1,2,3,4-tetrahydro-1-methyl-) can be summarised as followings: (1)ACD/LogP: 1.18; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 6.48 Å²; (7)Index of Refraction: 1.546; (8)Molar Refractivity: 45.43 cm³; (9)Molar Volume: 143.3 cm³; (10)Polarizability: 18.01×10^-24cm³; (11)Surface Tension: 34.3 dyne/cm; (12)Density: 1.033 g/cm³; (13)Flash Point: 134.2 °C; (14)Enthalpy of Vaporization: 50.67 kJ/mol; (15)Boiling Point: 268.6 °C at 760 mmHg; (16)Vapour Pressure: 0.00762 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: c2ccc1c(NCCN1C)c2
2.InChI: InChI=1/C9H12N2/c1-11-7-6-10-8-4-2-3-5-9(8)11/h2-5,10H,6-7H2,1H3
3.InChIKey: SXLZJUPRTINRQQ-UHFFFAOYAU

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	100mg/kg (100mg/kg)		U.S. Army Armament Research & Development