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| CAS No.: | 824943-40-0 |
|---|---|
| Name: | (2S,5R)-5-HYDROXYPIPECOLIC ACID HCL |
| Molecular Structure: | |
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| Formula: | C6H11NO3.HCl |
| Molecular Weight: | 181.619 |
| Synonyms: | 2-Piperidinecarboxylicacid, 5-hydroxy-, hydrochloride, (2S,5R)- (9CI);(2S,5R)-5-Hydroxypipecolicacid hydrochloride; |
| Boiling Point: | 374.2 °C at 760 mmHg |
| Flash Point: | 180.1 °C |
| PSA: | 69.56000 |
| LogP: | 0.31470 |
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Specification
The (2S,5R)-5-Hydroxypipecolic acid hydrochloride, with the CAS registry number 824943-40-0, has the molecular formula C6H11NO3.HCl. And its formula weight is 181.62. What's more, its systematic name is called (2S,5R)-5-hydroxypiperidine-2-carboxylic acid hydrochloride (1:1).
Physical properties about (2S,5R)-5-Hydroxypipecolic acid hydrochloride are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 4; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 38.77 Å2; (9)Flash Point: 180.1 °C; (10)Enthalpy of Vaporization: 71.92 kJ/mol; (11)Boiling Point: 374.2 °C at 760 mmHg; (12)Vapour Pressure: 3.95E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H]1NC[C@H](O)CC1.Cl
(2)InChI: InChI=1/C6H11NO3.ClH/c8-4-1-2-5(6(9)10)7-3-4;/h4-5,7-8H,1-3H2,(H,9,10);1H/t4-,5+;/m1./s1
(3)InChIKey: ZWHYCCWEJZJLHW-JBUOLDKXBS