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Name |
Methanone,di-1-piperidinyl- |
EINECS | 226-407-5 |
CAS No. | 5395-04-0 | Density | 1.076 g/cm3 |
PSA | 23.55000 | LogP | 1.95400 |
Solubility | N/A | Melting Point |
44-47 °C(lit.) |
Formula | C11H20N2O | Boiling Point | 297 °C at 760 mmHg |
Molecular Weight | 196.293 | Flash Point | 119.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 24/25 | Risk Codes | 22 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
Piperidine,1,1'-carbonylbis- (9CI);Piperidine, 1,1'-carbonyldi- (6CI,7CI,8CI);1,1'-Carbonyldipiperidine;Bis(1-piperidyl) ketone;Bis(pentamethylene)urea;Dipiperidin-1-ylmethanone;N,N,N',N'-Bis(cyclopentamethylene)urea;N,N,N',N'-Bispentamethyleneurea;N,N'-Carbonylbis(piperidine);NSC 3145; |
Article Data | 43 |
The CAS registry number of Methanone,di-1-piperidinyl- is 5395-04-0. Its EINECS registry number is 226-407-5. The IUPAC name is di(piperidin-1-yl)methanone. In addition, the molecular formula is C11H20N2O and the molecular weight is 196.29. What's more, it is a kind of faintly yellow crystals and belongs to the class of API Intermediates. And it should be stored in sealed container, and put in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 2.20; (2)ACD/LogD (pH 5.5): 2.2; (3)ACD/LogD (pH 7.4): 2.2; (4)ACD/BCF (pH 5.5): 27.5; (5)ACD/BCF (pH 7.4): 27.5; (6)ACD/KOC (pH 5.5): 373.14; (7)ACD/KOC (pH 7.4): 373.14; (8)#H bond acceptors: 3; (9)Polar Surface Area: 23.55 Å2; (10)Index of Refraction: 1.524; (11)Molar Refractivity: 55.81 cm3; (12)Molar Volume: 182.3 cm3; (13)Polarizability: 22.12 ×10-24cm3; (14)Surface Tension: 43.9 dyne/cm; (15)Density: 1.076 g/cm3; (16)Flash Point: 119.1 °C; (17)Enthalpy of Vaporization: 53.68 kJ/mol; (18)Boiling Point: 297 °C at 760 mmHg; (19)Vapour Pressure: 0.00139 mmHg at 25°C.
Preparation of Methanone,di-1-piperidinyl-: it can be prepared by piperidine and trimethoxyacetonitrile. The reaction time is 8 hours at reaction temperature of 100 °C. The yield is about 79%.
Uses of Methanone,di-1-piperidinyl-: it can be used to get Chlorbis(1-piperidinyl)carbenium-chlorid. This reaction will need reagent COCl2 and solvent diethyl ether. The reaction time is 3 hours. The yield is about 92%.
When you are using this chemical, please be cautious about it as the following:
During using it, you should avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N1CCCCC1)N2CCCCC2
(2)InChI: InChI=1/C11H20N2O/c14-11(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H2
(3)InChIKey: SNOJOKOVTYPHMC-UHFFFAOYAT
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LDLo | intraperitoneal | 500mg/kg (500mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 61, 1954. |