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40340-73-6

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Basic Information
CAS No.: 40340-73-6
Name: 1-(2-CHLOROACETYL)-4-METHYL-PIPERAZINE HCL
Article Data: 18
Molecular Structure:
Molecular Structure of 40340-73-6 (1-(2-CHLOROACETYL)-4-METHYL-PIPERAZINE HCL)
Formula: C7H13ClN2O
Molecular Weight: 176.646
Synonyms: Piperazine,1-(chloroacetyl)-4-methyl- (7CI,9CI);1-(Chloroacetyl)-4-methylpiperazine;2-Chloro-1-(4-methylpiperazin-1-yl)ethanone;
Density: 1.168 g/cm3
Melting Point: 195.5～196℃
Boiling Point: 278.4 °C at 760 mmHg
Flash Point: 122.2 °C
Hazard Symbols: Xi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 23.55000
LogP: -0.12500
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Specification

The Ethanone,2-chloro-1-(4-methyl-1-piperazinyl)-, with the CAS registry number 40340-73-6, is also known as 1-(Chloroacetyl)-4-methylpiperazine. This chemical's molecular formula is C7H13ClN2O and molecular weight is 176.64. What's more, its systematic name is 2-chloro-1-(4-methylpiperazin-1-yl)ethanone.

Physical properties of Ethanone,2-chloro-1-(4-methyl-1-piperazinyl)- are: (1)ACD/LogP: -0.15; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 23.55 Å2; (7)Index of Refraction: 1.498; (8)Molar Refractivity: 44.34 cm3; (9)Molar Volume: 151.2 cm3; (10)Polarizability: 17.57×10-24cm3; (11)Surface Tension: 38.8 dyne/cm; (12)Density: 1.168 g/cm3; (13)Flash Point: 122.2 °C; (14)Enthalpy of Vaporization: 51.7 kJ/mol; (15)Boiling Point: 278.4 °C at 760 mmHg; (16)Vapour Pressure: 0.00427 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N1CCN(C)CC1)CCl
(2)InChI: InChI=1S/C7H13ClN2O/c1-9-2-4-10(5-3-9)7(11)6-8/h2-6H2,1H3
(3)InChIKey: OTHMDVZIZBUTIE-UHFFFAOYSA-N