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CAS No.: | 81759-25-3 |
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Name: | 1,1'-Carbonyldipyrrolidine |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C9H16N2O |
Molecular Weight: | 168.239 |
Synonyms: | Pyrrolidine,1,1'-carbonylbis- (9CI);Pyrrolidine, 1,1'-carbonyldi- (6CI);1,1'-Carbonyldipyrrolidine;Bistetramethyleneurea;methanone, di-1-pyrrolidinyl-;1,1'-Carbonyldipyrrolidine;Dipyrrolidin-1-ylmethanone; |
EINECS: | 621-355-3 |
Density: | 1.145 g/cm3 |
Melting Point: | 258.9 °C at 760 mmHg |
Boiling Point: | 104.7 °C |
Flash Point: | 113oC |
Solubility: | Slightly soluble in water. |
Appearance: | colorless or light yellow transparent liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 23.55000 |
LogP: | 1.17380 |
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The Methanone,di-1-pyrrolidinyl- with CAS registry number of 81759-25-3 is also called Bistetramethyleneurea. The IUPAC name is dipyrrolidin-1-ylmethanone. In addition, the formula is C9H16N2O and the molecular weight is 168.24.
Physical properties about this chemical are: (1)ACD/LogP: 1.07; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 23.55 Å2; (7)Index of Refraction: 1.547; (8)Molar Refractivity: 46.59 cm3; (9)Molar Volume: 146.8 cm3; (10)Polarizability: 18.47 ×10-24cm3; (11)Surface Tension: 49.3 dyne/cm; (12)Density: 1.145 g/cm3; (13)Flash Point: 104.7 °C; (14)Enthalpy of Vaporization: 49.66 kJ/mol; (15)Boiling Point: 258.9 °C at 760 mmHg; (16)Vapour Pressure: 0.0133 mmHg at 25°C.
Preparation of Methanone,di-1-pyrrolidinyl-: it can be prepared by pyrrolidine and monoorthooxalic acid-1,1,1-triethyl ester-2-nitrile. The reaction time is 4 hours by heating and the yield is about 73%.
Uses of Methanone,di-1-pyrrolidinyl-: it can be used to get Chlorbis(1-pyrrolidinyl)carbenium-chlorid. This reaction will need reagent COCl2 and solvent diethyl ether. The yield is about 100% with ambient temperature.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you are using it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N1CCCC1)N2CCCC2
(2)InChI: InChI=1/C9H16N2O/c12-9(10-5-1-2-6-10)11-7-3-4-8-11/h1-8H2
(3)InChIKey: HPTQKSXAQBHFKL-UHFFFAOYAB