Product Name

  • Name

    3-(2-NITROPHENOXY)PIPERIDINE, N-BOC PROTECTED

  • EINECS
  • CAS No. 690632-67-8
  • Density 1.211 g/cm3
  • Solubility
  • Melting Point 74-75 °C
  • Formula C16H22N2O5
  • Boiling Point 447.3 °C at 760 mmHg
  • Molecular Weight 322.36
  • Flash Point 224.3 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 690632-67-8 (3-(2-NITROPHENOXY)PIPERIDINE, N-BOC PROTECTED)
  • Hazard Symbols Xi
  • Synonyms TERT-BUTYL 3-(2-NITROPHENOXY)PIPERIDINE-1-CARBOXYLATE;TERT-BUTYL 3-(2-NITROPHENOXY)TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE;BUTTPARK 99\57-89;3-(2-NITROPHENOXY)PIPERIDINE, N-BOC PROTECTED;3-(2-Nitrophenoxy)piperidine, N-BOC protected 97%;N-BOC-3-(2-NITROPHENOXY)PIPERIDINE;3-(2-Nitrophenoxy)piperidine, N1-BOC protected 97%
  • PSA 84.59000
  • LogP 3.83420

1-Piperidinecarboxylicacid, 3-(2-nitrophenoxy)-, 1,1-dimethylethyl ester Specification

This chemical is called 1-Piperidinecarboxylicacid, 3-(2-nitrophenoxy)-, 1,1-dimethylethyl ester, and its systematic name is tert-butyl 3-(2-nitrophenoxy)piperidine-1-carboxylate. With the molecular formula of  C16H22N2O5, its molecular weight is 322.36. The CAS registry number of this chemical is 690632-67-8.

Other characteristics of the 1-Piperidinecarboxylicacid, 3-(2-nitrophenoxy)-, 1,1-dimethylethyl ester can be summarised as followings: (1)ACD/LogP: 2.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.76; (4)ACD/LogD (pH 7.4): 2.76; (5)ACD/BCF (pH 5.5): 74.3; (6)ACD/BCF (pH 7.4): 74.3; (7)ACD/KOC (pH 5.5): 760.11; (8)ACD/KOC (pH 7.4): 760.11; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 84.59 Å2; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 84.28 cm3; (15)Molar Volume: 266 cm3; (16)Polarizability: 33.41×10-24cm3; (17)Surface Tension: 47.4 dyne/cm; (18)Density: 1.211 g/cm3; (19)Flash Point: 224.3 °C; (20)Enthalpy of Vaporization: 70.56 kJ/mol; (21)Boiling Point: 447.3 °C at 760 mmHg; (22)Vapour Pressure: 3.4E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c2ccccc2OC1CCCN(C(=O)OC(C)(C)C)C1
2.InChI: InChI=1/C16H22N2O5/c1-16(2,3)23-15(19)17-10-6-7-12(11-17)22-14-9-5-4-8-13(14)18(20)21/h4-5,8-9,12H,6-7,10-11H2,1-3H3
3.InChIKey: LDTYGQILEXWEFJ-UHFFFAOYAE

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