4-(4-Acetyl-1-piperazinyl)aniline supplier

Name
1-[4-(4-AMINO-PHENYL)-PIPERAZIN-1-YL]-ETHANONE
EINECS
CAS No. 92394-00-8
Article Data25
CAS DataBase
Density 1.177g/cm³
Solubility
Melting Point
Formula C₁₂H₁₇N₃O
Boiling Point 460.7 °C at 760 mmHg
Molecular Weight 219.286
Flash Point 232.4 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1-Acetyl-4-(4-aminophenyl)piperazine;
PSA 49.57000
LogP 1.52140

4-(4-Acetyl-1-piperazinyl)aniline Specification

The 4-(4-Acetyl-1-piperazinyl)aniline, with the CAS registry number of 92394-00-8, is also known as 1-Acetyl-4-(4-aminophenyl)piperazine. It belongs to the product categories of Amines; Phenyls & Phenyl-Het; Phenyls & Phenyl-Het. This chemical's molecular formula is C₁₂H₁₇N₃O and molecular weight is 219.28. What's more, Both its systematic name and IUPAC name are the same which is called 1-[4-(4-Aminophenyl)piperazin-1-yl]ethanone. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the 4-(4-Acetyl-1-piperazinyl)aniline are: (1)ACD/LogP: -0.35; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 26.79 Å²; (7)Index of Refraction: 1.596; (8)Molar Refractivity: 63.46 cm³; (9)Molar Volume: 186.2 cm³; (10)Surface Tension: 52 dyne/cm; (11)Density: 1.177 g/cm³; (12)Flash Point: 232.4 °C; (13)Enthalpy of Vaporization: 72.14 kJ/mol; (14)Boiling Point: 460.7 °C at 760 mmHg; (15)Vapour Pressure: 1.14E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES:O=C(N2CCN(c1ccc(N)cc1)CC2)C
(2) InChI:InChI=1/C12H17N3O/c1-10(16)14-6-8-15(9-7-14)12-4-2-11(13)3-5-12/h2-5H,6-9,13H2,1H3
(3) InChIKey:AFVUJJNEILZYJQ-UHFFFAOYAT

Product Name

1-[4-(4-AMINO-PHENYL)-PIPERAZIN-1-YL]-ETHANONE

4-(4-Acetyl-1-piperazinyl)aniline Specification

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