Basic information
- Name:
2-Piperidinone,4-hydroxy-
- Superlist Name:
- 4-Hydroxypiperidin-2-one
- CAS No.:
476014-76-3
- Molecular Structure:
- Formula:
- C5H9NO2
- Molecular Weight:
- 115.1305
- Synonyms:
- 4-Hydroxypiperidin-2-one;
- Density:
- 1.199 g/cm3
- Boiling Point:
- 352.3 °C at 760 mmHg
- Flash Point:
- 166.8 °C
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Specification
The CAS register number of 4-Hydroxypiperidin-2-one is 476014-76-3. It also can be called as 2-Piperidinone,4-hydroxy- and the systematic name about this chemical is 4-hydroxypiperidin-2-one.
Physical properties about 4-Hydroxypiperidin-2-one are: (1)ACD/LogP: -2.16; (2)ACD/LogD (pH 5.5): -2.16; (3)ACD/LogD (pH 7.4): -2.16; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.59; (7)ACD/KOC (pH 7.4): 1.59; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 29.54Å2; (12)Index of Refraction: 1.497; (13)Molar Refractivity: 28.12 cm3; (14)Molar Volume: 95.9 cm3; (15)Polarizability: 11.15x10-24cm3; (16)Surface Tension: 45.3 dyne/cm; (17)Enthalpy of Vaporization: 69.13 kJ/mol; (18)Boiling Point: 352.3 °C at 760 mmHg; (19)Vapour Pressure: 2.28E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NCCC(O)C1
(2)InChI: InChI=1/C5H9NO2/c7-4-1-2-6-5(8)3-4/h4,7H,1-3H2,(H,6,8)
(3)InChIKey: PRCAKTIAKXMBQF-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C5H9NO2/c7-4-1-2-6-5(8)3-4/h4,7H,1-3H2,(H,6,8)
(5)Std. InChIKey: PRCAKTIAKXMBQF-UHFFFAOYSA-N
