Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-(3-Nitrophenyl)piperidine |
EINECS | N/A |
CAS No. | 27969-73-9 | Density | 1.188 |
PSA | 49.06000 | LogP | 3.17330 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H14N2O2 | Boiling Point | 344.792 °C at 760 mmHg |
Molecular Weight | 206.244 | Flash Point | 162.325 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Piperidine,1-(m-nitrophenyl)- (8CI);1-(3-Nitrophenyl)piperidine;1-(m-Nitrophenyl)piperidine;3-Nitro-1-piperidinobenzene; |
Article Data | 13 |
The 1-(3-Nitrophenyl)piperidine, with the cas registry number 27969-73-9, is also called 3-nitro-1-piperidinobenzene. And its molecular fomula is C11H14N2O2.
The characteristics of this chemical are as followings: (1)ACD/LogP: 3.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 221; (6)ACD/BCF (pH 7.4): 222; (7)ACD/KOC (pH 5.5): 1656; (8)ACD/KOC (pH 7.4): 1664; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.06 Å2; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 57.615 cm3; (15)Molar Volume: 173.543 cm3; (16)Polarizability: 22.84×10-24cm3; (17)Surface Tension: 48.449 dyne/cm; (18)Density: 1.188 g/cm3; (19)Flash Point: 162.325 °C; (20)Enthalpy of Vaporization: 58.879 kJ/mol; (21)Boiling Point: 344.792 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=N(=O)c1cc(ccc1)N2CCCCC2
(2)InChI: InChI=1/C11H14N2O2/c14-13(15)11-6-4-5-10(9-11)12-7-2-1-3-8-12/h4-6,9H,1-3,7-8H2
(3)InChIKey: RFXXAZWSYHLLOC-UHFFFAOYAT