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1,1'-Carbonyldipyrrolidine

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Name

1,1'-Carbonyldipyrrolidine

EINECS 621-355-3
CAS No. 81759-25-3 Density 1.145 g/cm3
PSA 23.55000 LogP 1.17380
Solubility Slightly soluble in water. Melting Point 258.9 °C at 760 mmHg
Formula C9H16N2O Boiling Point 104.7 °C
Molecular Weight 168.239 Flash Point 113oC
Transport Information N/A Appearance colorless or light yellow transparent liquid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 81759-25-3 (1,1'-Carbonyldipyrrolidine) Hazard Symbols IrritantXi
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;

Article Data 1

1,1'-Carbonyldipyrrolidine Specification

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%.

Methanone,di-1-pyrrolidinyl- can be prepared by pyrrolidine and monoorthooxalic acid-1,1,1-triethyl ester-2-nitrile

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.

Methanone,di-1-pyrrolidinyl- can be used to get Chlorbis(1-pyrrolidinyl)carbenium-chlorid.

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

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