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83680-83-5

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Basic Information
CAS No.: 83680-83-5
Name: L-Pipecolicacid
Molecular Structure:
Molecular Structure of 83680-83-5 (L-Pipecolicacid)
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
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Specification

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