CAS No.71260-16-7,1-(2-METHYLPROPANOYL)-PIPERAZINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	71260-16-7
Name:	1-(2-METHYLPROPANOYL)-PIPERAZINE
Article Data:	8

Formula:	C₈H₁₆N₂O
Molecular Weight:	156.228
Synonyms:	Piperazine,1-(2-methyl-1-oxopropyl)- (9CI);1-(2-Methylpropanoyl)piperazine;1-(2-Methylpropionyl)piperazine;1-Isobutyrylpiperazine;2-Methyl-1-(piperazin-1-yl)propan-1-one;4-Isobutyrylpiperazine;
EINECS:	200-589-5
Density:	0.987 g/cm³
Boiling Point:	278.4 °C at 760 mmHg
Flash Point:	122.2 °C
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	26
PSA:	32.34000
LogP:	0.34090

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Specification

The 1-Propanone,2-methyl-1-(1-piperazinyl)-, with CAS registry number 71260-16-7, belongs to the following product categories: (1)Piperidine; (2)Piperazines. It has the systematic name of 1-(2-methylpropanoyl)piperazine. And the chemical formula of this chemical is C₈H₁₆N₂O.

Physical properties of 1-Propanone,2-methyl-1-(1-piperazinyl)-: (1)ACD/LogP: 0.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.5; (4)ACD/LogD (pH 7.4): -0.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 17.94; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.55 Å²; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 43.79 cm³; (15)Molar Volume: 158.1 cm³; (16)Polarizability: 17.36×10^-24cm³; (17)Surface Tension: 32.7 dyne/cm; (18)Density: 0.987 g/cm³; (19)Flash Point: 122.2 °C; (20)Enthalpy of Vaporization: 51.7 kJ/mol; (21)Boiling Point: 278.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00427 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N1CCNCC1)C(C)C
(2)InChI: InChI=1/C8H16N2O/c1-7(2)8(11)10-5-3-9-4-6-10/h7,9H,3-6H2,1-2H3
(3)InChIKey: JPULDXYXDMNTNT-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C8H16N2O/c1-7(2)8(11)10-5-3-9-4-6-10/h7,9H,3-6H2,1-2H3
(5)Std. InChIKey: JPULDXYXDMNTNT-UHFFFAOYSA-N