Product Name

  • Name

    tert-Butyl 2-(2-methoxy-2-oxoethyl)piperazine-1-carboxylate

  • EINECS
  • CAS No. 183852-65-5
  • Article Data2
  • CAS DataBase
  • Density 1.084 g/cm3
  • Solubility
  • Melting Point
  • Formula C12H22N2O4
  • Boiling Point 336.2 °C at 760 mmHg
  • Molecular Weight 258.3141
  • Flash Point 157.1 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 183852-65-5 (tert-Butyl 2-(2-methoxy-2-oxoethyl)piperazine-1-carboxylate)
  • Hazard Symbols
  • Synonyms 2-Methyl-2-propanyl 2-(2-methoxy-2-oxoethyl)-1-piperazinecarboxylate;
  • PSA 67.87000
  • LogP 1.02510

2-Piperazineaceticacid, 1-[(1,1-dimethylethoxy)carbonyl]-, methyl ester Specification

The 2-Piperazineaceticacid, 1-[(1,1-dimethylethoxy)carbonyl]-, methyl ester, with the CAS registry number 183852-65-5, is also known as 2-Methyl-2-propanyl 2-(2-methoxy-2-oxoethyl)-1-piperazinecarboxylate. It belongs to the product category of Piperazine series. This chemical's molecular formula is C12H22N2O4 and molecular weight is 258.3141. What's more, its IUPAC name is tert-Butyl 2-(2-methoxy-2-oxoethyl)piperazine-1-carboxylate.

Physical properties about 2-Piperazineaceticacid, 1-[(1,1-dimethylethoxy)carbonyl]-, methyl ester are: (1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.52; (4)#H bond acceptors: 6; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 5; (7)Polar Surface Area: 67.87 Å2; (8)Index of Refraction: 1.465; (9)Molar Refractivity: 65.91 cm3; (10)Molar Volume: 238.2 cm3; (11)Polarizability: 26.12×10-24 cm3; (12)Surface Tension: 35.3 dyne/cm; (13)Density: 1.084 g/cm3; (14)Flash Point: 157.1 °C; (15)Enthalpy of Vaporization: 57.94 kJ/mol; (16)Boiling Point: 336.2 °C at 760 mmHg; (17)Vapour Pressure: 0.000114 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(CC1CNCCN1C(=O)OC(C)(C)C)OC
(2) InChI: InChI=1/C12H22N2O4/c1-12(2,3)18-11(16)14-6-5-13-8-9(14)7-10(15)17-4/h9,13H,5-8H2,1-4H3
(3) InChIKey: XFNONNLAJOFYHF-UHFFFAOYAX

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