Name: 2,4-Difluorophenyl-(4-piperidinyl)methanone oxime hydrochloride
SKU: 135634-18-3

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Basic Information

Molecular Structure:
CAS No.:	135634-18-3
Name:	2,4-Difluorophenyl-(4-piperidinyl)methanone oxime hydrochloride
Article Data:	4

Formula:	C₁₂H₁₄F₂N₂O^.HCl
Molecular Weight:	276.714
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);
EINECS:	424-740-2
Boiling Point:	383.2°C at 760 mmHg
Flash Point:	185.6°C
PSA:	44.62000
LogP:	3.27350

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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