Basic information
- Name:
Quinoxaline, 1,2,3,4-tetrahydro-1-methyl-
- CAS No.:
36438-97-8
- Molecular Structure:
- Formula:
- C9H12N2
- Molecular Weight:
- 148.205
- 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
- Boiling Point:
- 268.6 °C at 760 mmHg
- Flash Point:
- 134.2 °C
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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 |