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| CAS No.: | 869884-00-4 |
|---|---|
| Name: | (S)-1,2,3,4-Tetrahydro-1-phenylisoquinoline D-(-)-tartrate |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C15H15N.C4H6O6 |
| Molecular Weight: | 359.379 |
| Synonyms: | butanedioic acid, 2,3-dihydroxy-, (2S,3S)-, compd. with (1S)-1,2,3,4-tetrahydro-1-phenylisoquinoline (1:1);(2S,3S)-2,3-Dihydroxysuccinic acid - (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline (1:1); |
| Boiling Point: | 338.4 °C at 760 mmHg |
| Flash Point: | 166.9 °C |
| PSA: | 127.09000 |
| LogP: | 1.12790 |
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Specification
The (S)-1,2,3,4-Tetrahydro-1-phenylisoquinoline D-(-)-tartrate with the cas number 869884-00-4 is also called (2S,3S)-2,3-Dihydroxysuccinic acid-(1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline (1:1). The systematic name is (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline 2,3-dihydroxybutanedioate (1:1). Its molecular formula is C15H15N.C4H6O6.
The properties of the chemical are: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Flash Point: 166.9 °C; (7)Enthalpy of Vaporization: 58.17 kJ/mol; (8)Boiling Point: 338.4 °C at 760 mmHg; (9)Vapour Pressure: 9.87×10-5 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](O)[C@H](O)C(=O)O.c1ccc3c(c1)[C@H](c2ccccc2)NCC3
(2)InChI: InChI=1/C15H15N.C4H6O6/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;5-1(3(7)8)2(6)4(9)10/h1-9,15-16H,10-11H2;1-2,5-6H,(H,7,8)(H,9,10)/t15-;1-,2-/m00/s1
(3)InChIKey: SZEOPQAHUUEDMC-XQIJAYBJBY