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CAS No.: | 93290-93-8 |
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Name: | 4-PIPERIDINYLPHENYLGLYOXAL HYDRATE |
Molecular Structure: | |
Formula: | C13H17NO3 |
Molecular Weight: | 235.283 |
Synonyms: | 4-Piperidinylphenylglyoxal hydrate;2-oxo-2-[4-(1-piperidyl)phenyl]acetaldehyde hydrate; |
EINECS: | 604-604-1 |
Density: | 1.247±0.06 g/cm3(Predicted) |
Boiling Point: | 440.4 °C at 760 mmHg |
Flash Point: | 220.2 °C |
Hazard Symbols: | Xi |
PSA: | 60.77000 |
LogP: | 1.23530 |
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The Ethanone,2,2-dihydroxy-1-[4-(1-piperidinyl)phenyl]-, with the CAS registry number 93290-93-8, has the systematic name of 2-oxo-2-[4-(1-piperidyl)phenyl]acetaldehyde hydrate. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C13H17NO3.
The characteristics of Ethanone,2,2-dihydroxy-1-[4-(1-piperidinyl)phenyl]- are as followings: (1)ACD/LogP: 0.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.33; (4)ACD/LogD (pH 7.4): 0.33 ; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 37.38 Å2; (9)Flash Point: 220.2 °C; (10)Enthalpy of Vaporization: 73.52 kJ/mol; (11)Boiling Point: 440.4 °C at 760 mmHg; (12)Vapour Pressure: 1.56E-08 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc(ccc1C(=O)C=O)N2CCCCC2.O
(2)InChI: InChI=1/C13H15NO2.H2O/c15-10-13(16)11-4-6-12(7-5-11)14-8-2-1-3-9-14;/h4-7,10H,1-3,8-9H2;1H2
(3)InChIKey: SXNPLZQCYQRCGL-UHFFFAOYAI