Ethanone,1-[4-(3-aminophenyl)-1-piperazinyl]- supplier

Name
1-[4-(3-AMINOPHENYL)PIPERAZIN-1-YL]ETHANONE
EINECS
CAS No. 206879-65-4
Article Data5
CAS DataBase
Density 1.177 g/cm³
Solubility
Melting Point 127-129 °C
Formula C₁₂H₁₇N₃O
Boiling Point 462.414 °C at 760 mmHg
Molecular Weight 219.286
Flash Point 233.46 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Piperazine,1-acetyl-4-(3-aminophenyl)- (9CI);1-[4-(3-Aminophenyl)piperazin-1-yl]ethanone;3-(4-Acetyl-piperazin-1-yl)aniline;
PSA 49.57000
LogP 1.52140

Ethanone,1-[4-(3-aminophenyl)-1-piperazinyl]- Specification

The Ethanone,1-[4-(3-aminophenyl)-1-piperazinyl]-, with the CAS registry number 206879-65-4, is also known as 1-[4-(3-Aminophenyl)piperazin-1-yl]ethanone. This chemical's molecular formula is C₁₂H₁₇N₃O and molecular weight is 219.28. What's more, its systematic name is 3-(4-acetylpiperazin-1-yl)aniline.

Physical properties of Ethanone,1-[4-(3-aminophenyl)-1-piperazinyl]- are: (1)ACD/LogP: 0.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8; (8)ACD/KOC (pH 7.4): 15; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.57 Å²; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 63.465 cm³; (15)Molar Volume: 186.294 cm³; (16)Polarizability: 25.16×10^-24cm³; (17)Surface Tension: 52.018 dyne/cm; (18)Density: 1.177 g/cm³; (19)Flash Point: 233.46 °C; (20)Enthalpy of Vaporization: 72.346 kJ/mol; (21)Boiling Point: 462.414 °C at 760 mmHg.

Uses of Ethanone,1-[4-(3-aminophenyl)-1-piperazinyl]-: it can be used to produce N-[3-(4-acetyl-piperazin-1-yl)-phenyl]-methanesulfonamide; hydrochloride. It will need reagents Et₃N, dimethylaminopyridine and solvent CH₂Cl₂. The yield is about 20%.

Ethanone,1-[4-(3-aminophenyl)-1-piperazinyl]- can be used to produce N-[3-(4-acetyl-piperazin-1-yl)-phenyl]-methanesulfonamide; hydrochloride

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N2CCN(c1cc(N)ccc1)CC2)C
(2)InChI: InChI=1S/C12H17N3O/c1-10(16)14-5-7-15(8-6-14)12-4-2-3-11(13)9-12/h2-4,9H,5-8,13H2,1H3
(3)InChIKey: ZDNZOUXIQFHVEP-UHFFFAOYSA-N

Product Name

1-[4-(3-AMINOPHENYL)PIPERAZIN-1-YL]ETHANONE

Ethanone,1-[4-(3-aminophenyl)-1-piperazinyl]- Specification

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