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CAS No.: | 25077-25-2 |
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Name: | 2,6-Piperidinedione, 1-methyl- |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C6H9NO2 |
Molecular Weight: | 127.143 |
Synonyms: | Glutarimide,N-methyl- (6CI,7CI,8CI);1-Methylglutarimide;N-Methylglutarimide; |
Density: | 1.15 g/cm3 |
Melting Point: | 30-31 °C |
Boiling Point: | 243.8 °C at 760 mmHg |
Flash Point: | 110.7 °C |
PSA: | 37.38000 |
LogP: | 0.09320 |
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The 2,6-Piperidinedione,1-methyl-, with the CAS registry number 25077-25-2, is also known as N-Methylglutarimide. This chemical's molecular formula is C6H9NO2 and molecular weight is 127.14. What's more, its IUPAC name is 1-Methylpiperidine-2,6-dione. Its classification codes are: Drug/Therapeutic Agent.
Physical properties of 2,6-Piperidinedione,1-methyl- are: (1)ACD/LogP: 0.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.35; (4)ACD/LogD (pH 7.4): 0.35; (5)ACD/BCF (pH 5.5): 1.09; (6)ACD/BCF (pH 7.4): 1.09; (7)ACD/KOC (pH 5.5): 37; (8)ACD/KOC (pH 7.4): 37; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 37.38 Å2; (13)Index of Refraction: 1.483; (14)Molar Refractivity: 31.59 cm3; (15)Molar Volume: 110.5 cm3; (16)Polarizability: 12.52×10-24 cm3; (17)Surface Tension: 39.6 dyne/cm; (18)Density: 1.15 g/cm3; (19)Flash Point: 110.7 °C; (20)Enthalpy of Vaporization: 48.08 kJ/mol; (21)Boiling Point: 243.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0315 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN1C(=O)CCCC1=O
(2)InChI: InChI=1S/C6H9NO2/c1-7-5(8)3-2-4-6(7)9/h2-4H2,1H3
(3)InChIKey: VUYOLIKWIVQHBC-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | > 512mg/kg (512mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 173, Pg. 115, 1968. Link to PubMed | |
rat | LDLo | oral | 3400mg/kg (3400mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | National Technical Information Service. Vol. OTS0571226, |