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| CAS No.: | 50866-56-3 |
|---|---|
| Name: | 1-Benzylpiperidine-3,5-dione |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C12H13NO2 |
| Molecular Weight: | 203.241 |
| Synonyms: | 1-benzylpiperidine-3,5-dione |
| Density: | 1.204 g/cm3 |
| Melting Point: | 87-89 °C(Solv: water (7732-18-5); methanol (67-56-1)) |
| Boiling Point: | 352.726 °C at 760 mmHg |
| Flash Point: | 159.921 °C |
| PSA: | 37.38000 |
| LogP: | 0.96840 |
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- Total:24 Page 1 of 1 1
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Specification
With the CAS registry number 50866-56-3, the IUPAC name of 1-Benzylpiperidine-3,5-dione is 1-Benzylpiperidine-3,5-dione. The product's category is Heterocyclic Building Blocks. In addition, its molecular formula is C12H13NO2 and its molecular weight is 203.24.
The other characteristics of 1-Benzylpiperidine-3,5-dione can be summarized as: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 51; (8)ACD/KOC (pH 7.4): 47; (9)H bond acceptors: 3; (10)H bond donors: 0; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.38 Å2; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 56.053 cm3; (15)Molar Volume: 168.813 cm3; (16)Polarizability: 22.221×10-24cm3; (17)Surface Tension: 51.034 dyne/cm; (18)Density: 1.204 g/cm3; (19)Flash Point: 159.921 °C; (20)Enthalpy of Vaporization: 59.757 kJ/mol; (21)Boiling Point: 352.726 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:O=C2CN(Cc1ccccc1)CC(=O)C2
(2)InChI:InChI=1/C12H13NO2/c14-11-6-12(15)9-13(8-11)7-10-4-2-1-3-5-10/h1-5H,6-9H2
(3)InChIKey:SSQGMHBWFUQTCU-UHFFFAOYAT
(4)Std. InChI:InChI=1S/C12H13NO2/c14-11-6-12(15)9-13(8-11)7-10-4-2-1-3-5-10/h1-5H,6-9H2
(5)Std. InChIKey:SSQGMHBWFUQTCU-UHFFFAOYSA-N