4-(4-Boc-piperazin-1-yl)-3-fluoroaniline supplier

Name
4-(4-Boc-piperazin-1-yl)-3-fluoroaniline
EINECS
CAS No. 154590-35-9
Article Data23
CAS DataBase
Density 1.198 g/cm³
Solubility
Melting Point
Formula C₁₅H₂₂FN₃O₂
Boiling Point 439.626 °C at 760 mmHg
Molecular Weight 295.357
Flash Point 219.678 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Fluoro-4-[4-(tert-butoxycarbonyl)piperazin-1-yl]aniline;4-(4-Amino-2-fluorophenyl)piperazine-1-carboxylic acid tert-butyl ester;
PSA 58.80000
LogP 3.04910

4-(4-Boc-piperazin-1-yl)-3-fluoroaniline Specification

The 1-Piperazinecarboxylicacid, 4-(4-amino-2-fluorophenyl)-, 1,1-dimethylethyl ester is an organic compound with the formula C₁₅H₂₂FN₃O₂. The systematic name of this chemical is Tert-butyl 4-(4-amino-2-fluorophenyl)piperazine-1-carboxylate. With the CAS registry number 154590-35-9, it is also named as 4-(4-Boc-Piperazin-1-yl)-3-fluoroaniline. Besides, its molecular weight is 295.3525.

Physical properties about 1-Piperazinecarboxylicacid, 4-(4-amino-2-fluorophenyl)-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.74; (2)ACD/LogD (pH 7.4): 1.37; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 5.25; (5)ACD/KOC (pH 5.5): 2.59; (6)ACD/KOC (pH 7.4): 89.56; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 58.8 Å²; (11)Index of Refraction: 1.554; (12)Molar Refractivity: 79.06 cm³; (13)Molar Volume: 246.4 cm³; (14)Polarizability: 31.34×10^-24 cm³; (15)Surface Tension: 46.7 dyne/cm; (16)Density: 1.198 g/cm³; (17)Flash Point: 219.7 °C; (18)Enthalpy of Vaporization: 69.66 kJ/mol; (19)Boiling Point: 439.6 °C at 760 mmHg; (20)Vapour Pressure: 6.28E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C15H22FN3O2/c1-15(2,3)21-14(20)19-8-6-18(7-9-19)13-5-4-11(17)10-12(13)16/h4-5,10H,6-9,17H2,1-3H3
(2)InChIKey: IULXQAJBODFBAK-UHFFFAOYAC
(3)Std. InChI: InChI=1S/C15H22FN3O2/c1-15(2,3)21-14(20)19-8-6-18(7-9-19)13-5-4-11(17)10-12(13)16/h4-5,10H,6-9,17H2,1-3H3
(4)Std. InChIKey: IULXQAJBODFBAK-UHFFFAOYSA-N

Product Name

4-(4-Boc-piperazin-1-yl)-3-fluoroaniline

4-(4-Boc-piperazin-1-yl)-3-fluoroaniline Specification

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