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Cas Database |
| Name |
1,3-Dimethylpyrrolidine-2-one |
EINECS | N/A |
| CAS No. | 19597-07-0 | Density | 0.973 g/cm3 |
| PSA | 20.31000 | LogP | 0.42250 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H11NO | Boiling Point | 197.6 °C at 760 mmHg |
| Molecular Weight | 113.159 | Flash Point | 85.2 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1,3-Dimethyl-2-pyrrolidinone; |
Article Data | 1 |
1,3-Dimethylpyrrolidine-2-one Specification
The 2-Pyrrolidinone,1,3-dimethyl-, with the CAS registry number 19597-07-0, is also known as 1,3-Dimethyl-2-pyrrolidinone. It belongs to the product category of Pyrrolidines. This chemical's molecular formula is C6H11NO and molecular weight is 113.15764. Its IUPAC name is called 1,3-dimethylpyrrolidin-2-one. This chemical's classification code is Drug / Therapeutic Agent.
Physical properties of 2-Pyrrolidinone,1,3-dimethyl-: (1)ACD/LogP: 0.09; (2)#H bond acceptors: 2; (3)Index of Refraction: 1.455; (4)Molar Refractivity: 31.55 cm3; (5)Molar Volume: 116.2 cm3; (6)Surface Tension: 29.1 dyne/cm; (7)Density: 0.973 g/cm3; (8)Flash Point: 85.2 °C; (9)Enthalpy of Vaporization: 43.38 kJ/mol; (10)Boiling Point: 197.6 °C at 760 mmHg; (11)Vapour Pressure: 0.376 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1CCN(C1=O)C
(2)InChI: InChI=1S/C6H11NO/c1-5-3-4-7(2)6(5)8/h5H,3-4H2,1-2H3
(3)InChIKey: BCNBMSZKALBQEF-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 3gm/kg (3000mg/kg) | Russian Pharmacology and Toxicology Vol. 45, Pg. 122, 1982. |
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