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| CAS No.: | 38470-14-3 |
|---|---|
| Name: | D-PIPERCOLIC ACID HCL |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C6H12ClNO2 |
| Molecular Weight: | 165.62 |
| Synonyms: | Piperidine-2-carboxylic acid hydrochloride (1:1);2-Carboxypiperidinium chloride;Piperidine-2-carboxylic acid hydrochloride (1:1);(R)-Piperidine-2-carboxylic acid HCl; |
| Boiling Point: | 265.8 °C at 760 mmHg |
| Flash Point: | 114.5 °C |
| PSA: | 49.33000 |
| LogP: | 1.34390 |
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Specification
The 2-Piperidinecarboxylic acid hydrochloride, with the CAS registry number 38470-14-3, is also known as (R)-Piperidine-2-carboxylic acid HCl. This chemical's molecular formula is C6H12ClNO2 and molecular weight is 165.62. What's more, its systematic name is piperidine-2-carboxylic acid hydrochloride (1:1).
Physical properties of 2-Piperidinecarboxylic acid hydrochloride are: (1)# of Rule of 5 Violations: 0; (2)ACD/LogD (pH 5.5): -2.5; (3)ACD/BCF (pH 5.5): 1; (4)ACD/KOC (pH 5.5): 1; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 29.54 Å2; (9)Flash Point: 114.5 °C; (10)Enthalpy of Vaporization: 55.45 kJ/mol; (11)Boiling Point: 265.8 °C at 760 mmHg; (12)Vapour Pressure: 0.0026 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C1NCCCC1.Cl
(2)InChI: InChI=1S/C6H11NO2.ClH/c8-6(9)5-3-1-2-4-7-5;/h5,7H,1-4H2,(H,8,9);1H
(3)InChIKey: AUGDEGXARBUSFU-UHFFFAOYSA-N