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448964-01-0

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Basic Information
CAS No.: 448964-01-0
Name: 2-Piperidinecarboxylic acid, 5-hydroxy-, (2R,5R)- (9CI)
Article Data: 23
Molecular Structure:
Molecular Structure of 448964-01-0 (2-Piperidinecarboxylic acid, 5-hydroxy-, (2R,5R)- (9CI))
Formula: C6H11NO3
Molecular Weight: 145.15644
Synonyms: (2R,5R)-5-Hydroxy-2-piperidinecarboxylic acid;
Density: 1.299 g/cm3
Boiling Point: 354.8 °C at 760 mmHg
Flash Point: 168.4 °C
PSA: 69.56000
LogP: -0.48730
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Specification

The systematic name of this product is (2R,5R)-5-Hydroxypiperidine-2-carboxylic acid, and its CAS registry number is 448964-01-0. It is also named as (2R,5R)-5-Hydroxy-2-piperidinecarboxylic acid. It belongs to the product categories of Carboxylicacid; Alcohol. This chemical's molecular formula is C6H11NO3 and molecular weight is 145.15644.

Physical properties about (2R,5R)-5-Hydroxypiperidine-2-carboxylic acid are: (1)ACD/LogP: -1.23; (2) of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.73; (4)ACD/LogD (pH 7.4): -3.73; (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: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 34.1 cm3; (15)Molar Volume: 111.7 cm3; (16)Polarizability: 13.52×10-24 cm3; (17)Surface Tension: 54.8 dyne/cm; (18)Density: 1.299 g/cm3; (19)Flash Point: 168.4 °C; (20)Enthalpy of Vaporization: 69.45 kJ/mol; (21)Boiling Point: 354.8 °C at 760 mmHg; (22)Vapour Pressure: 1.87E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C1CC(NCC1O)C(=O)O
(2) InChI: InChI=1/C6H11NO3/c8-4-1-2-5(6(9)10)7-3-4/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5-/m1/s1
(3) InChIKey: RKEYKDXXZCICFZ-RFZPGFLSBJ