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1-Benzyl-2-piperidone

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Name

1-Benzyl-2-piperidone

EINECS N/A
CAS No. 4783-65-7 Density 1.098 g/cm3
PSA 20.31000 LogP 2.13700
Solubility N/A Melting Point N/A
Formula C12H15NO Boiling Point 357 °C at 760 mmHg
Molecular Weight 189.257 Flash Point 146.7 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 4783-65-7 (1-BENZYL-2-PIPERIDONE  98+%) Hazard Symbols IrritantXi
Synonyms

2-Piperidone,1-benzyl- (6CI,7CI,8CI);1-Benzyl-2-oxopiperidine;1-Benzyl-2-piperidinone;1-Benzyl-2-piperidone;1-Benzyl-d-valerolactam;N-Benzyl-2-piperidinone;

Article Data 43

1-Benzyl-2-piperidone Specification

This chemical is called 1-Benzyl-2-piperidone, and its systematic name is 1-benzylpiperidin-2-one. With the molecular formula of C12H15NO, its molecular weight is 189.25. The CAS registry number of this chemical is 4783-65-7, its product categories are Building Blocks; Heterocyclic Building Blocks; Piperidones.

Other characteristics of the 1-Benzyl-2-piperidone can be summarised as followings: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.81; (4)ACD/LogD (pH 7.4): 1.81; (5)ACD/BCF (pH 5.5): 14.09; (6)ACD/BCF (pH 7.4): 14.09; (7)ACD/KOC (pH 5.5): 231.19; (8)ACD/KOC (pH 7.4): 231.19; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 55.92 cm3; (15)Molar Volume: 172.3 cm3; (16)Polarizability: 22.16×10-24cm3; (17)Surface Tension: 44.8 dyne/cm; (18)Density: 1.098 g/cm3; (19)Flash Point: 146.7 °C; (20)Enthalpy of Vaporization: 60.23 kJ/mol; (21)Boiling Point: 357 °C at 760 mmHg; (22)Vapour Pressure: 2.82E-05 mmHg at 25°C. 

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=C2N(Cc1ccccc1)CCCC2
2.InChI: InChI=1/C12H15NO/c14-12-8-4-5-9-13(12)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
3.InChIKey: MLEGMEBCXGDFQT-UHFFFAOYAJ

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