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CAS No.: | 19365-08-3 |
---|---|
Name: | 3-hydroxypiperidin-2-one |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C5H9NO2 |
Molecular Weight: | 115.132 |
Synonyms: | 2-Piperidone,3-hydroxy- (6CI,8CI);2-Hydroxyvalerolactam;3-Hydroxy-2-piperidone;3-Hydroxypiperidin-2-one;NSC 100722; |
Density: | 1.199 g/cm3 |
Melting Point: | 141-142 °C(Solv: ethyl acetate (141-78-6)) |
Boiling Point: | 352.3 °C at 760 mmHg |
Flash Point: | 166.8 °C |
PSA: | 49.33000 |
LogP: | -0.41390 |
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The 2-Piperidinone,3-hydroxy-, with the CAS registry number 19365-08-3, is also known as 2-Hydroxyvalerolactam. This chemical's molecular formula is C5H9NO2 and molecular weight is 115.1305. What's more, its systematic name and its IUPAC name are the same which is called 3-Hydroxypiperidin-2-one.
Physical properties about 2-Piperidinone,3-hydroxy-: (1)ACD/LogP: -2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.41; (6)ACD/KOC (pH 7.4): 1.41; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 29.54 Å2; (11)Index of Refraction: 1.497; (12)Molar Refractivity: 28.12 cm3; (13)Molar Volume: 95.9 cm3; (14)Surface Tension: 45.3 dyne/cm; (15)Density: 1.199 g/cm3; (16)Flash Point: 166.8 °C; (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.
Uses of 2-Piperidinone,3-hydroxy-: it is used to produce other chemicals. For example, it is used to produce 5,6,7,8-Tetrahydro-imidazo[1,2-α]pyridin-8-ol. The reaction occurs with catalyzer TiCl4 and reagent 1,3,5-Trimethyl-benzene heating for 72 hours. The yield is 61 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1NCCCC1O
(2) InChI: InChI=1/C5H9NO2/c7-4-2-1-3-6-5(4)8/h4,7H,1-3H2,(H,6,8)
(3) InChIKey: RYKLZUPYJFFNRR-UHFFFAOYAN