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CAS No.: | 18073-84-2 |
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Name: | 1,3-BIS[1-(2-HYDROXYETHYL)-4-PIPERIDYL]PROPANE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C17H34N2O2 |
Molecular Weight: | 298.469 |
Synonyms: | 4,4'-Trimethylenebis-(N-piperidineethanol);2,2'-(Propane-1,3-diyldipiperidine-4,1-diyl)diethanol;1-Piperidineethanol, 4,4'-trimethylenedi-;1,3-Bis[1-(2-hydroxyethyl)-4-piperidyl]propane;2-(4-{3-[1-(2-Hydroxyethyl)-4-piperidyl]propyl}piperidyl)ethan-1-ol; |
EINECS: | 241-981-7 |
Density: | 1.01 g/cm3 |
Melting Point: | 95 °C |
Boiling Point: | 446.3 °C at 760 mmHg |
Flash Point: | 211 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 46.94000 |
LogP: | 1.44110 |
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The 1-Piperidineethanol,4,4'-(1,3-propanediyl)bis-, with the CAS registry number 18073-84-2, is also known as 4,4'-Trimethylenebis-(N-piperidineethanol). Its EINECS number is 241-981-7. The molecular formula of this chemical is C17H34N2O2 and molecular weight is 298.46. What's more, its systematic name is 2,2'-(Propane-1,3-diyldipiperidine-4,1-diyl)diethanol.
Physical properties of 1-Piperidineethanol,4,4'-(1,3-propanediyl)bis- are: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.22; (4)ACD/LogD (pH 7.4): -0.32; (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: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 24.94 Å2; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 86.94 cm3; (15)Molar Volume: 295.2 cm3; (16)Polarizability: 34.46×10-24 cm3; (17)Surface Tension: 38.3 dyne/cm; (18)Density: 1.01 g/cm3; (19)Flash Point: 211 °C; (20)Enthalpy of Vaporization: 81.28 kJ/mol; (21)Boiling Point: 446.3 °C at 760 mmHg; (22)Vapour Pressure: 7.71E-10 mmHg at 25 °C.
Preparation: this chemical can be prepared by 4,4'-propane-1,3-diyl-bis-piperidine and oxirane at the temperature of 25–30 °C. This reaction will need solvent methanol. The yield is about 39%.
Uses of 1-Piperidineethanol,4,4'-(1,3-propanediyl)bis-: it can be used to produce 1,3-bis[N-(2-chloroethyl)-4-piperidyl]propane dihydrochloride with heating. It will need reagent thionyl chloride and solvent CHCl3 with the reaction time of 4 hours. The yield is about 82%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CCC1CCCC2CCN(CC2)CCO)CCO
(2)InChI: InChI=1S/C17H34N2O2/c20-14-12-18-8-4-16(5-9-18)2-1-3-17-6-10-19(11-7-17)13-15-21/h16-17,20-21H,1-15H2
(3)InChIKey: VSSGEWPIFHKREK-UHFFFAOYSA-N