The 2-Piperidinecarboxylicacid, 6-oxo-, (2S)-, with the CAS registry number of 34622-39-4, is also known as (S)-2-Piperidinone-6-carboxylic acid and L-Pyrohomoglutamic acid. This chemical's molecular formula is C6H9NO3 and molecular weight is 143.14. What's more, its systematic name is called (2S)-6-Oxopiperidine-2-carboxylic acid.
Physical properties about 2-Piperidinecarboxylicacid, 6-oxo-, (2S)- are: (1)ACD/LogP: -0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4; (4)ACD/LogD (pH 7.4): -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: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 66.4 Å2; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 32.645 cm3; (15)Molar Volume: 111.234 cm3; (16)Polarizability: 12.941×10-24 cm3; (17)Surface Tension: 48.976 dyne/cm; (18)Density: 1.287 g/cm3; (19)Flash Point: 218.068 °C; (20)Enthalpy of Vaporization: 76.04 kJ/mol; (21)Boiling Point: 436.964 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C; (23)Melting Point: 129-134 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@H]1NC(=O)CCC1
(2) InChI: InChI=1/C6H9NO3/c8-5-3-1-2-4(7-5)6(9)10/h4H,1-3H2,(H,7,8)(H,9,10)/t4-/m0/s1
(3) InChIKey: FZXCPFJMYOQZCA-BYPYZUCNBJ
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