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| CAS No.: | 36702-48-4 |
|---|---|
| Name: | (S)-2-Methylpiperidine-L-tartrate |
| Molecular Structure: | |
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| Formula: | C10H19NO6 |
| Molecular Weight: | 249.264 |
| Synonyms: | (S)-2-METHYLPIPERIDINE-L-TARTRATE;2-PIPECOLINE-L-(+)-TARTARIC ACID SALT;(S)-2-Methylpiperidine (2R,3R)-2,3-dihydroxysuccinate |
| Boiling Point: | 452.2 °C at 760 mmHg |
| Flash Point: | 227.3 °C |
| PSA: | 127.09000 |
| LogP: | -0.64540 |
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Specification
The cas register number of (S)-2-Methylpiperidine-L-tartrate is 36702-48-4. The Systematic name about this chemical is Piperidine, 2-methyl-, (2S)-, 2,3-dihydroxybutanedioate (1:1) (salt).
Physical properties about (S)-2-Methylpiperidine-L-tartrate are: (1)# of Rule of 5 Violations: 1; (2)#H bond acceptors: 7; (3)#H bond donors: 5; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 127.09Å2; (6)Flash Point: 227.3 °C; (7)Enthalpy of Vaporization: 82.07 kJ/mol; (8)Boiling Point: 452.2 °C at 760 mmHg; (9)Vapour Pressure: 4.46E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(C(O)C(O)=O)C(O)=O.C[C@H]1CCCCN1
(2)InChI: InChI=1/C6H13N.C4H6O6/c1-6-4-2-3-5-7-6;5-1(3(7)8)2(6)4(9)10/h6-7H,2-5H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t6-;/m0./s1
(3)InChIKey: LMABJXMUDFOITG-RGMNGODLBH
(4)Std. InChI: InChI=1S/C6H13N.C4H6O6/c1-6-4-2-3-5-7-6;5-1(3(7)8)2(6)4(9)10/h6-7H,2-5H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t6-;/m0./s1
(5)Std. InChIKey: LMABJXMUDFOITG-RGMNGODLSA-N