N-Benzyl-2,6-piperidinedion supplier

Name
N-Benzyl-2,6-piperidinedion
EINECS
CAS No. 42856-43-9
Article Data21
CAS DataBase
Density 1.203g/cm³
Solubility
Melting Point 48-49 °C
Formula C₁₂H₁₃NO₂
Boiling Point 404.6 °C at 760 mmHg
Molecular Weight 203.241
Flash Point 195.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Benzylpiperidine-2,6-dione;2,6-piperidinedione, 1-(phenylmethyl)-;
PSA 37.38000
LogP 1.66360

N-Benzyl-2,6-piperidinedion Specification

The N-Benzyl-2,6-piperidinedion with cas registry number of 42856-43-9, has the systematic name of 1-benzylpiperidine-2,6-dione. And it is also named 2,6-piperidinedione, 1-(phenylmethyl)-.

Physical properties about this chemical are: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.13; (4)ACD/LogD (pH 7.4): 2.13; (5)ACD/BCF (pH 5.5): 24.39; (6)ACD/BCF (pH 7.4): 24.39; (7)ACD/KOC (pH 5.5): 342.45; (8)ACD/KOC (pH 7.4): 342.45; (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: 56.05 cm ³; (15)Molar Volume: 168.8 cm³; (16)Polarizability: 22.22×10^-24cm³; (17)Surface Tension: 51 dyne/cm; (18)Enthalpy of Vaporization: 65.61 kJ/mol; (19)Vapour Pressure: 9.33E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2CCCC(=O)N2Cc1ccccc1;
(2)InChI: InChI=1/C12H13NO2/c14-11-7-4-8-12(15)13(11)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2;
(3)InChIKey: RBEFUDUPGFNSIZ-UHFFFAOYAL;
(4)Std. InChI: InChI=1S/C12H13NO2/c14-11-7-4-8-12(15)13(11)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2;
(5)Std. InChIKey: RBEFUDUPGFNSIZ-UHFFFAOYSA-N

Product Name

N-Benzyl-2,6-piperidinedion

N-Benzyl-2,6-piperidinedion Specification

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