-
Name
4-(4-NITROPHENYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
- EINECS
- CAS No. 182618-86-6
- Article Data51
- CAS DataBase
- Density 1.22 g/cm3
- Solubility
- Melting Point
- Formula C15H21N3O4
- Boiling Point 456.6 °C at 760 mmHg
- Molecular Weight 307.349
- Flash Point 229.9 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- 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;
- PSA 78.60000
- LogP 3.17800
1-Piperazinecarboxylicacid, 4-(4-nitrophenyl)-, 1,1-dimethylethyl ester Specification
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
Related Products
- 1-Piperazinecarboxylicacid, 2-(hydroxymethyl)-, 1,1-dimethylethyl ester,(2S)-
- 1-Piperazinecarboxylicacid, 2,5-dimethyl-, 1,1-dimethylethyl ester, (2R,5S)-rel-
- 1-Piperazinecarboxylicacid, 2-[(phenylmethoxy)methyl]-, 1,1-dimethylethyl ester, (2R)-
- 1-Piperazinecarboxylicacid, 2-formyl-4-(phenylmethyl)-, 1,1-dimethylethyl ester, (2S)-
- 1-Piperazinecarboxylicacid, 3-(hydroxymethyl)-, phenylmethyl ester
- 1-Piperazinecarboxylicacid, 3,5-dimethyl-, 1,1-dimethylethyl ester, (3R,5S)-rel-
- 1-Piperazinecarboxylicacid, 3-cyano-, 1,1-dimethylethyl ester
- 1-Piperazinecarboxylicacid, 4-(1H-indol-4-yl)-, 1,1-dimethylethyl ester
- 1-Piperazinecarboxylicacid, 4-(1-oxo-3-buten-1-yl)-, 9H-fluoren-9-ylmethyl ester
- 1-Piperazinecarboxylicacid, 4-(2-aminophenyl)-, 1,1-dimethylethyl ester
- 182621-56-3
- 1826-23-9
- 1826-28-4
- 18263-25-7
- 18264-71-6
- 18266-33-6
- 18266-50-7
- 1826-67-1
- 182678-46-2
- 18268-45-6
Hot Products
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View