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42856-43-9

Basic Information
CAS No.: 42856-43-9
Name: N-Benzyl-2,6-piperidinedion
Article Data: 21
Molecular Structure:
Molecular Structure of 42856-43-9 (N-Benzyl-2,6-piperidinedion)
Formula: C12H13NO2
Molecular Weight: 203.241
Synonyms: 1-Benzylpiperidine-2,6-dione;2,6-piperidinedione, 1-(phenylmethyl)-;
Density: 1.203g/cm3
Melting Point: 48-49 °C
Boiling Point: 404.6 °C at 760 mmHg
Flash Point: 195.2 °C
PSA: 37.38000
LogP: 1.66360
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    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemicals. W

    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, s

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    hight degree of purity Application:Fine chemical intermediates, used as the main raw material for he synthesis of various pesticides, medicines, surfactants, polymer monomers, Ond Ontifungal agents

    Antimex Chemical Limied, was founded in 2001, we are specializing in manufacturing & researching of Active pharmaceutical Ingredients,Veterinary pharm APIs,cosmetic ingredients,and

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    We are committed to providing our customers with the best products and services at the most competitive prices.Appearance:white to light yellow crystal powder Storage:Room temperature with sealed well Package:according to the clients requirement Appl

    BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-info

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    United Scientific Company Located in Shanghai of China , is a competitive player in the global specialty and fine chemical market. Fenghua has both the expertise and flexibility to produce a wide range of chemicals. Focusing on developing the innov

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    The company is a high-tech enterprise providing comprehensive customer service for pharmaceutical companies at home and abroad in accordance with international standards. Our business includes research, development, process optimization and productio

    Prime Molecular Co., Ltd. is an advanced chemical intermediates manufacture with ?two R&D centers and two production sites in China, all well-equipped with dedicated and profession

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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 cm3; (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