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CAS No.: | 25519-82-8 |
---|---|
Name: | Methanone,(4-methoxyphenyl)-4-piperidinyl-, hydrochloride (1:1) |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C13H17NO2.ClH |
Molecular Weight: | 255.744 |
Synonyms: | Ketone,p-methoxyphenyl 4-piperidyl, hydrochloride (8CI);Methanone,(4-methoxyphenyl)-4-piperidinyl-, hydrochloride (9CI);4-(4-Methoxybenzoyl)piperidine hydrochloride;4-(p-Methoxybenzoyl)piperidinehydrochloride; |
Melting Point: | 260-264°C |
Boiling Point: | 371.3 °C at 760 mmHg |
Flash Point: | 178.3 °C |
Hazard Symbols: | Xi |
Safety: | 24/25 |
PSA: | 38.33000 |
LogP: | 3.00830 |
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The Methanone,(4-methoxyphenyl)-4-piperidinyl-, hydrochloride (1:1), with its CAS registry number 25519-82-8, has its systematic name of (4-methoxyphenyl)(piperidin-4-yl)methanone hydrochloride . With its molecular formula of C13H17NO2.ClH and molecular weight of 255.74, it belongs to the product categories of Pyrans, Piperidines, Piperazines. Besides, it should be kept in the cool, dry and well-ventilated place. In addition, it is irritant and it should avoid contact with your eyes and skin.
Physical properties of Methanone,(4-methoxyphenyl)-4-piperidinyl-, hydrochloride (1:1): (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.2; (4)ACD/LogD (pH 7.4): -0.72; (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: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Flash Point: 178.3 °C; (14)Enthalpy of Vaporization: 61.83 kJ/mol; (15)Boiling Point: 371.3 °C at 760 mmHg; (16)Vapour Pressure: 1.04E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:O=C(c1ccc(OC)cc1)C2CCNCC2.Cl
(2)InChI:InChI=1/C13H17NO2.ClH/c1-16-12-4-2-10(3-5-12)13(15)11-6-8-14-9-7-11;/h2-5,11,14H,6-9H2,1H3;1H
(3)InChIKey:BBDTWYQCXXFKDH-UHFFFAOYAC