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CAS No.: | 83680-83-5 |
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Name: | L-Pipecolicacid |
Molecular Structure: | |
Formula: | C6H11NO2 |
Molecular Weight: | 129.159 |
Synonyms: | Dihydrobaikiaine; |
Density: | 1.125 g/cm3 |
Boiling Point: | 265.8 °C at 760 mmHg |
Flash Point: | 114.5 °C |
The L-Pipecolicacid, with the CAS registry number 83680-83-5, is also known as Dihydrobaikiaine. This chemical's molecular formula is C6H11NO2 and molecular weight is 129.16. What's more, its systematic name is called Piperidine-2-carboxylic acid.
Physical properties about L-Pipecolicacid are: (1) ACD/LogP: 0.00; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -2.5; (4) ACD/LogD (pH 7.4): -2.5; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 1; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 3; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 29.54 Å2; (13) Index of Refraction: 1.478; (14) Molar Refractivity: 32.51 cm3; (15) Molar Volume: 114.7 cm3; (16) Surface Tension: 40.3 dyne/cm; (17) Density: 1.125 g/cm3; (18) Flash Point: 114.5 °C; (19) Enthalpy of Vaporization: 55.45 kJ/mol; (20) Boiling Point: 265.8 °C at 760 mmHg; (21) Vapour Pressure: 0.0026 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C1NCCCC1
(2) InChI: InChI=1/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)
(3) InChIKey: HXEACLLIILLPRG-UHFFFAOYAL