| Identification | |
| Name: | 6-Isoquinolinecarbonitrile,1,2,3,4-tetrahydro-, hydrochloride (1:1) |
| Synonyms: | 6-Isoquinolinecarbonitrile,1,2,3,4-tetrahydro-, monohydrochloride (9CI);1,2,3,4-Tetrahydro-6-isoquinolinecarbonitrilehydrochloride;6-Cyano-1,2,3,4-tetrahydroisoquinoline hydrochloride; |
| CAS: | 171084-93-8 |
| Molecular Formula: | C10H10N2.HCl |
| Molecular Weight: | 194.66 |
| Molecular Structure: |  |
| Properties | |
| Specification: |
The 1,2,3,4-Tetrahydroisoquinoline-6-carbonitrile hydrochloride, with the cas registry number 171084-93-8, is also called 6-Cyano-1,2,3,4-tetrahydroisoquinoline hydrochloride. The molecular formula of the chemical is C10H10N2.HCl. The characteristics of this chemical are as followings: (1)ACD/LogP: 0.84; (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): 4; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 35.82 Å2; (11)Flash Point: 155 °C; (12)Enthalpy of Vaporization: 58.7 kJ/mol; (13)Boiling Point: 332.8 °C at 760 mmHg; (14)Vapour Pressure: 0.000103 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
| Safety Data | |
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