Ethanone,1-[4-(2-aminoethyl)-1-piperazinyl]- supplier

Name
1-[4-(2-AMINOETHYL)PIPERAZIN-1-YL]ETHANONE
EINECS 948-384-7
CAS No. 148716-35-2
Density 1.063 g/cm³
Solubility
Melting Point
Formula C₈H₁₇N₃O
Boiling Point 316 °C at 760 mmHg
Molecular Weight 171.242
Flash Point 144.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-[4-(2-Aminoethyl)piperazin-1-yl]ethanone;1-Piperazineethanamine,4-acetyl- (9CI);2-(4-Acetylpiperazin-1-yl)ethanamine;
PSA 49.57000
LogP -0.31470

Ethanone,1-[4-(2-aminoethyl)-1-piperazinyl]- Specification

The Ethanone,1-[4-(2-aminoethyl)-1-piperazinyl]-, with the CAS registry number 148716-35-2, is also known as 2-(4-Acetylpiperazin-1-yl)ethanamine. It belongs to the product categories of Acetylgroup; Piperidine; API intermediates. This chemical's molecular formula is C₈H₁₇N₃O and molecular weight is 171.24. What's more, its systematic name is 1-[4-(2-aminoethyl)piperazin-1-yl]ethanone.

Physical properties of Ethanone,1-[4-(2-aminoethyl)-1-piperazinyl]- are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 49.57 Å²; (10)Index of Refraction: 1.503; (11)Molar Refractivity: 47.64 cm³; (12)Molar Volume: 161 cm³; (13)Polarizability: 18.88×10^-24cm³; (14)Surface Tension: 41.3 dyne/cm; (15)Density: 1.063 g/cm³; (16)Flash Point: 144.9 °C; (17)Enthalpy of Vaporization: 55.72 kJ/mol; (18)Boiling Point: 316 °C at 760 mmHg; (19)Vapour Pressure: 0.000423 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)N1CCN(CC1)CCN
(2)InChI: InChI=1S/C8H17N3O/c1-8(12)11-6-4-10(3-2-9)5-7-11/h2-7,9H2,1H3
(3)InChIKey: IEXLKUJTTDIYQW-UHFFFAOYSA-N

Product Name

1-[4-(2-AMINOETHYL)PIPERAZIN-1-YL]ETHANONE

Ethanone,1-[4-(2-aminoethyl)-1-piperazinyl]- Specification

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