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| CAS No.: | 2687-44-7 |
|---|---|
| Name: | N-Methyl-2-pyrrolidone |
| Molecular Structure: | |
 |
|
| Formula: | C5H9NO |
| Molecular Weight: | 99.13 |
| Synonyms: | N-Methyl-2-pyrrolidone |
| EINECS: | 212-828-1 |
| Density: | 1.03 g/cm3 |
| Melting Point: | -24℃ |
| Boiling Point: | 201.999 °C at 760 mmHg |
| Flash Point: | 86.111 °C |
| Solubility: | >=10 g/100 mL at 20℃ |
| Hazard Symbols: | R36/38:; |
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 20.31000 |
| LogP: | 0.17650 |
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Specification
The N-methyl-2-pyrrolidone, with the cas registry number 2687-44-7, has the systematic name of 1-methylpyrrolidin-2-one.
The physical properties of this chemical are as follows: (1)ACD/LogP: -0.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.4; (4)ACD/LogD (pH 7.4): -0.4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.47; (8)ACD/KOC (pH 7.4): 14.47; (9)#H bond acceptors: 2; (10)Polar Surface Area: 20.31; (11)Index of Refraction: 1.469; (12)Molar Refractivity: 26.85 cm3; (13)Molar Volume: 96.2 cm3; (14)Polarizability: 10.64 ×10-24 cm3; (15)Surface Tension: 33.7 dyne/cm; (16)Density: 1.029 g/cm3; (17)Flash Point: 86.1 °C; (18)Enthalpy of Vaporization: 43.82 kJ/mol; (19)Boiling Point: 202 °C at 760 mmHg; (20)Vapour Pressure: 0.299 mmHg at 25°C.
In addition, you could convert the following datas into the molecular structure:
(1)SMILES:O=C1N(C)CCC1
(2)InChI:InChI=1/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3
(3)InChIKey:SECXISVLQFMRJM-UHFFFAOYAL