1-Piperidinecarboxylicacid, 4-(4-nitrophenoxy)-, 1,1-dimethylethyl ester supplier

Name
1N-BOC 4-(4'-NITROPHENOXY) PIPERIDINE
EINECS 604-604-1
CAS No. 138227-62-0
Article Data31
CAS DataBase
Density 1.211 g/cm³
Solubility
Melting Point 99 °C
Formula C₁₆H₂₂N₂O₅
Boiling Point 453.7 °C at 760 mmHg
Molecular Weight 322.361
Flash Point 228.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 1,1-Dimethylethyl4-(4-nitrophenoxy)-1-piperidinecarboxylate;1-(tert-Butoxycarbonyl)-4-(4-nitrophenoxy)piperidine;1-[[N-(tert-Butoxycarbonyl)-4-piperidinyl]oxy]-4-nitrobenzene;4-(1-tert-Butoxycarbonylpiperidin-4-yloxy)nitrobenzene;4-(4-Nitrophenoxy)piperidine-1-carboxylic acid tert-butyl ester;4-[(1-tert-Butoxycarbonyl-4-piperidyl)oxy]nitrobenzene;
PSA 84.59000
LogP 3.83420

1-Piperidinecarboxylicacid, 4-(4-nitrophenoxy)-, 1,1-dimethylethyl ester Specification

The 1-Piperidinecarboxylicacid, 4-(4-nitrophenoxy)-, 1,1-dimethylethyl ester is an organic compound with the formula C₁₆H₂₂N₂O₅. The systematic name of this chemical is tert-butyl 4-(4-nitrophenoxy)piperidine-1-carboxylate. With the CAS registry number 138227-62-0, it is also named as tert-butyl 4-(4-nitrophenoxy)tetrahydro-1(2H)-pyridinecarboxylate.

Physical properties about 1-Piperidinecarboxylicacid, 4-(4-nitrophenoxy)-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 3.14; (2)ACD/LogD (pH 5.5): 3.14; (3)ACD/LogD (pH 7.4): 3.14; (4)ACD/BCF (pH 5.5): 143.88; (5)ACD/BCF (pH 7.4): 143.88; (6)ACD/KOC (pH 5.5): 1219.83; (7)ACD/KOC (pH 7.4): 1219.83; (8)#H bond acceptors: 7; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 84.59 Å²; (11)Index of Refraction: 1.546; (12)Molar Refractivity: 84.28 cm³; (13)Molar Volume: 266 cm³; (14)Polarizability: 33.41×10^-24cm³; (15)Surface Tension: 47.4 dyne/cm; (16)Density: 1.211 g/cm³; (17)Flash Point: 228.2 °C; (18)Enthalpy of Vaporization: 71.31 kJ/mol; (19)Boiling Point: 453.7 °C at 760 mmHg; (20)Vapour Pressure: 2.03E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccc(OC1CCN(C(=O)OC(C)(C)C)CC1)cc2
(2)InChI: InChI=1/C16H22N2O5/c1-16(2,3)23-15(19)17-10-8-14(9-11-17)22-13-6-4-12(5-7-13)18(20)21/h4-7,14H,8-11H2,1-3H3
(3)InChIKey: UNNMTKGKCWNQNU-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C16H22N2O5/c1-16(2,3)23-15(19)17-10-8-14(9-11-17)22-13-6-4-12(5-7-13)18(20)21/h4-7,14H,8-11H2,1-3H3
(5)Std. InChIKey: UNNMTKGKCWNQNU-UHFFFAOYSA-N

Product Name

1N-BOC 4-(4'-NITROPHENOXY) PIPERIDINE

1-Piperidinecarboxylicacid, 4-(4-nitrophenoxy)-, 1,1-dimethylethyl ester Specification

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