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CAS No.: | 94467-73-9 |
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Name: | MORPHOLIN-4-YL-PIPERIDIN-4-YL-METHANONE HYDROCHLORIDE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C10H19ClN2O2 |
Molecular Weight: | 234.726 |
Synonyms: | Morpholine,4-(4-piperidinylcarbonyl)-, monohydrochloride (9CI);Morpholine, 4-isonipecotoyl-,hydrochloride (7CI);4-(Morpholin-4-ylcarbonyl)piperidine hydrochloride;4-(Morpholinocarbonyl)piperidine hydrochloride;4-(piperidin-4-ylcarbonyl)morpholine hydrochloride;morpholino(4-piperidinyl)methanone hydrochloride;4-(Piperidin-4-ylcarbonyl)morpholinehydrochloride;Morpholin-4-yl-piperidin-4-yl-methanone; |
EINECS: | 604-604-1 |
Density: | 1.21g/cm3 |
Melting Point: | 279-286 |
Boiling Point: | 369.8 °C at 760 mmHg |
Flash Point: | 177.4 °C |
Hazard Symbols: | Xi |
PSA: | 41.57000 |
LogP: | 0.91350 |
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The Methanone,4-morpholinyl-4-piperidinyl-, hydrochloride (1:1), with the CAS registry number 94467-73-9, has the systematic name of 4-(piperidin-4-ylcarbonyl)morpholine hydrochloride. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C10H19ClN2O2.
The characteristics of Methanone,4-morpholinyl-4-piperidinyl-, hydrochloride (1:1) are as followings: (1)ACD/LogP: -0.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.21; (4)ACD/LogD (pH 7.4): -2.69; (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: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.78 Å2; (13)Flash Point: 177.4 °C; (14)Enthalpy of Vaporization: 61.66 kJ/mol; (15)Boiling Point: 369.8 °C at 760 mmHg; (16)Vapour Pressure: 1.16E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(N1CCOCC1)C2CCNCC2.Cl
(2)InChI: InChI=1/C10H18N2O2.ClH/c13-10(9-1-3-11-4-2-9)12-5-7-14-8-6-12;/h9,11H,1-8H2;1H
(3)InChIKey: YODDNPCNUDVZEO-UHFFFAOYAL