2,4-Difluorophenyl-(4-piperidinyl)methanone oxime hydrochloride supplier

Name
2,4-Difluorophenyl-(4-piperidinyl)methanone oxime hydrochloride
EINECS 424-740-2
CAS No. 135634-18-3
Article Data4
CAS DataBase
Density
Solubility
Melting Point
Formula C₁₂H₁₄F₂N₂O^.HCl
Boiling Point 383.2°C at 760 mmHg
Molecular Weight 276.714
Flash Point 185.6°C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methanone,(2,4-difluorophenyl)-4-piperidinyl-, oxime, monohydrochloride (9CI);1-(2,4-Difluorophenyl)-N-hydroxy-1-(piperidin-4-yl)methanimine hydrochloride (1:1);methanone, (2,4-difluorophenyl)-4-piperidinyl-, oxime, hydrochloride (1:1);
PSA 44.62000
LogP 3.27350

2,4-Difluorophenyl-(4-piperidinyl)methanone oxime hydrochloride Specification

The systematic name of 2,4-Difluorophenyl-(4-piperidinyl)methanone oxime hydrochloride is (Z)-1-(2,4-difluorophenyl)-N-hydroxy-1-(piperidin-4-yl)methanimine hydrochloride (1:1). With the CAS registry number 135634-18-3, it is also named as methanone, (2,4-difluorophenyl)-4-piperidinyl-, oxime, (Z)-, hydrochloride (1:1). It is white powder which is used as pharmaceutical intermediate.

The other characteristics of 2,4-Difluorophenyl-(4-piperidinyl)methanone oxime hydrochloride can be summarized as: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (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: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 24.83 Å²; (13)Flash Point: 167.6 °C ; (14)Enthalpy of Vaporization: 63.15 kJ/mol; (15)Boiling Point: 353.5 °C at 760 mmHg; (16)Vapour Pressure: 1.32E-05 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:Cl.Fc2ccc(/C(=N\O)C1CCNCC1)c(F)c2
2. InChI:InChI=1/C12H14F2N2O.ClH/c13-9-1-2-10(11(14)7-9)12(16-17)8-3-5-15-6-4-8;/h1-2,7-8,15,17H,3-6H2;1H/b16-12-;
3. InChIKey:CPVWKXXFKMUDPA-PXJKFVASBQ
4. Std. InChI:InChI=1S/C12H14F2N2O.ClH/c13-9-1-2-10(11(14)7-9)12(16-17)8-3-5-15-6-4-8;/h1-2,7-8,15,17H,3-6H2;1H/b16-12-;
5. Std. InChIKey:CPVWKXXFKMUDPA-PXJKFVASSA-N

Product Name

2,4-Difluorophenyl-(4-piperidinyl)methanone oxime hydrochloride

2,4-Difluorophenyl-(4-piperidinyl)methanone oxime hydrochloride Specification

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