1-Benzylpiperidine-3,5-dione supplier

Name
1-Benzylpiperidine-3,5-dione
EINECS
CAS No. 50866-56-3
Article Data5
CAS DataBase
Density 1.204 g/cm³
Solubility
Melting Point 87-89 °C(Solv: water (7732-18-5); methanol (67-56-1))
Formula C₁₂H₁₃NO₂
Boiling Point 352.726 °C at 760 mmHg
Molecular Weight 203.241
Flash Point 159.921 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-benzylpiperidine-3,5-dione
PSA 37.38000
LogP 0.96840

1-Benzylpiperidine-3,5-dione 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

Product Name

1-Benzylpiperidine-3,5-dione

1-Benzylpiperidine-3,5-dione Specification

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