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CAS No.: | 182618-86-6 |
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Name: | 4-(4-NITROPHENYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER |
Article Data: | 51 |
Molecular Structure: | |
Formula: | C15H21N3O4 |
Molecular Weight: | 307.349 |
Synonyms: | 1-(4-Boc-piperazin-1-yl)-4-nitrobenzene;4-(4-Nitrophenyl)piperazin-1-carboxylic acid tert-butyl ester;4-(4-Nitrophenyl)piperazine-1-carboxylic acid tert-butyl ester;tert-Butyl4-(4-nitrophenyl)-1-piperazinecarboxylate;1-Boc-4-(4-nitrophenyl)piperazine; |
Density: | 1.22 g/cm3 |
Boiling Point: | 456.6 °C at 760 mmHg |
Flash Point: | 229.9 °C |
PSA: | 78.60000 |
LogP: | 3.17800 |
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The 1-Piperazinecarboxylicacid, 4-(4-nitrophenyl)-, 1,1-dimethylethyl ester, with the CAS registry number 182618-86-6, is also known as 1-Boc-4-(4-nitrophenyl)-piperazine. It belongs to the product category of API intermediates. This chemical's molecular formula is C15H21N3O4 and molecular weight is 307.34494. Its IUPAC name is called tert-butyl 4-(4-nitrophenyl)piperazine-1-carboxylate.
Physical properties of 1-Piperazinecarboxylicacid, 4-(4-nitrophenyl)-, 1,1-dimethylethyl ester: (1)ACD/LogP: 2.71; (2)#H bond acceptors: 7; (3)#Freely Rotating Bonds: 4; (4)Index of Refraction: 1.559; (5)Molar Refractivity: 81.38 cm3; (6)Molar Volume: 251.7 cm3; (7)Surface Tension: 49 dyne/cm; (8)Density: 1.22 g/cm3; (9)Flash Point: 229.9 °C; (10)Enthalpy of Vaporization: 71.65 kJ/mol; (11)Boiling Point: 456.6 °C at 760 mmHg; (12)Vapour Pressure: 1.6E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]
(2)InChI: InChI=1S/C15H21N3O4/c1-15(2,3)22-14(19)17-10-8-16(9-11-17)12-4-6-13(7-5-12)18(20)21/h4-7H,8-11H2,1-3H3
(3)InChIKey: MGYCIJUTYLUYJM-UHFFFAOYSA-N