Product Name

  • Name

    1-(3-Chloropropyl)-4-methylpiperazine dihydrochloride

  • EINECS 217-981-8
  • CAS No. 2031-23-4
  • Article Data6
  • CAS DataBase
  • Density
  • Solubility
  • Melting Point 255-257 °C (decomp)(Solv: ethanol (64-17-5))
  • Formula C8H19Cl3N2
  • Boiling Point 242.9 °C at 760 mmHg
  • Molecular Weight 249.611
  • Flash Point 100.7 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 2031-23-4 (1-(3-Chloropropyl)-4-methylpiperazine dihydrochloride)
  • Hazard Symbols IrritantXi
  • Synonyms Piperazine,1-(3-chloropropyl)-4-methyl-, dihydrochloride (7CI,8CI,9CI);3-(4-Methyl-1-piperazinyl)propyl chloride dihydrochloride;1-(3-Chloropropyl)-4-methylpiperazine dihydrochloride;1-(3-Chloropropyl)-4-methylpiperazine HCl;
  • PSA 6.48000
  • LogP 2.34250

1-(3-Chloropropyl)-4-methylpiperazine dihydrochloride Specification

The IUPAC name of 1-(3-Chloropropyl)-4-methylpiperazine dihydrochloride is 1-(3-chloropropyl)-4-methylpiperazine dihydrochloride. With the CAS registry number 2031-23-4, it is also named as 1-(3-Chloropropyl)-4-methylpiperazine HCl. In addition, its molecular formula is C8H19Cl3N2 and molecular weight is 249.61.

The other characteristics of 1-(3-Chloropropyl)-4-methylpiperazine dihydrochloride can be summarized as: (1)EINECS: 217-981-8; (2)ACD/LogP: 0.38; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -2.03; (5)ACD/LogD (pH 7.4): -0.32; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 7.65; (10)#H bond acceptors: 2; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 3; (13)Polar Surface Area: 6.48 Å2; (14)Flash Point: 100.7 °C; (15)Enthalpy of Vaporization: 47.99 kJ/mol; (16)Boiling Point: 242.9 °C at 760 mmHg; (17)Vapour Pressure: 0.033 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Cl.Cl.ClCCCN1CCN(CC1)C
(2)InChI: InChI=1/C8H17ClN2.2ClH/c1-10-5-7-11(8-6-10)4-2-3-9;;/h2-8H2,1H3;2*1H
(3)InChIKey: RRZYWKLLIIIINP-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C8H17ClN2.2ClH/c1-10-5-7-11(8-6-10)4-2-3-9;;/h2-8H2,1H3;2*1H
(5)Std. InChIKey: RRZYWKLLIIIINP-UHFFFAOYSA-N

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