1-(4-Nitrophenyl)-2-piperidinone supplier

Name
1-(4-Nitrophenyl)-2-piperidinone
EINECS
CAS No. 38560-30-4
Article Data21
CAS DataBase
Density 1.295 g/cm³
Solubility
Melting Point 97.0 to 101.0 °C
Formula C₁₁H₁₂N₂O₃
Boiling Point 480.921 °C at 760 mmHg
Molecular Weight 220.228
Flash Point 244.652 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(4-Nitrophenyl)piperidin-2-one
PSA 66.13000
LogP 2.69990

1-(4-Nitrophenyl)-2-piperidinone Specification

The 1-(4-Nitrophenyl)piperidin-2-one is an organic compound with the formula C₁₁H₁₂N₂O₃. With the CAS registry number 38560-30-4, the systematic name of this chemical is 1-(4-nitrophenyl)piperidin-2-one.

Physical properties about 1-(4-Nitrophenyl)piperidin-2-one are: (1)ACD/LogP: 2.22; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 14; (5)ACD/BCF (pH 7.4): 14; (6)ACD/KOC (pH 5.5): 226; (7)ACD/KOC (pH 7.4): 226; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 66.13 Å²; (11)Index of Refraction: 1.595; (12)Molar Refractivity: 57.745 cm³; (13)Molar Volume: 170.04 cm³; (14)Polarizability: 22.892×10^-24cm³; (15)Surface Tension: 54.98 dyne/cm; (16)Density: 1.295 g/cm³; (17)Flash Point: 244.652 °C; (18)Enthalpy of Vaporization: 74.552 kJ/mol; (19)Boiling Point: 480.921 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=N(=O)c1ccc(cc1)N2CCCCC2=O
(2)InChI: InChI=1/C11H12N2O3/c14-11-3-1-2-8-12(11)9-4-6-10(7-5-9)13(15)16/h4-7H,1-3,8H2
(3)InChIKey: VPCQXIGQMFWXII-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C11H12N2O3/c14-11-3-1-2-8-12(11)9-4-6-10(7-5-9)13(15)16/h4-7H,1-3,8H2
(5)Std. InChIKey: VPCQXIGQMFWXII-UHFFFAOYSA-N

Product Name

1-(4-Nitrophenyl)-2-piperidinone

1-(4-Nitrophenyl)-2-piperidinone Specification

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