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| CAS No.: | 76494-51-4 |
|---|---|
| Name: | LIGUSTRAZOINEHYDROCHLORIDE |
| Molecular Structure: | |
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| Formula: | C8H13ClN2 |
| Molecular Weight: | 172.658 |
| Synonyms: | Pyrazine, tetramethyl-, hydrochloride;1124-11-4;Chuanxiongzine Hydrochlorid; |
| EINECS: | 1592732-453-0 |
| Boiling Point: | 192.7 °C at 760 mmHg |
| Flash Point: | 71.6 °C |
| PSA: | 25.78000 |
| LogP: | 2.51220 |
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Specification
This chemical is called 2,3,5,6-Tetramethylpyrazine hydrochloride, and its systematic name is tetramethylpyrazine hydrochloride (1:1). With the molecular formula of C8H13ClN2, its molecular weight is 172.65. The CAS registry number of this chemical is 76494-51-4.
Other characteristics of the 2,3,5,6-Tetramethylpyrazine hydrochloride can be summarised as followings: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.56; (4)ACD/LogD (pH 7.4): 1.56; (5)ACD/BCF (pH 5.5): 9.02; (6)ACD/BCF (pH 7.4): 9.04; (7)ACD/KOC (pH 5.5): 167.93; (8)ACD/KOC (pH 7.4): 168.33; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å2; (13)Flash Point: 71.6 °C; (14)Enthalpy of Vaporization: 41.14 kJ/mol; (15)Boiling Point: 192.7 °C at 760 mmHg; (16)Vapour Pressure: 0.671 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cl.n1c(c(nc(c1C)C)C)C
2.InChI: InChI=1/C8H12N2.ClH/c1-5-6(2)10-8(4)7(3)9-5;/h1-4H3;1H
3.InChIKey: RQKFOGXUTRDQPB-UHFFFAOYAL
4.Std. InChI: InChI=1S/C8H12N2.ClH/c1-5-6(2)10-8(4)7(3)9-5;/h1-4H3;1H
5.Std. InChIKey: RQKFOGXUTRDQPB-UHFFFAOYSA-N