Product Name

  • Name

    tert-butyl 4-(4-hydroxybutyl)piperidine-1-carboxylate

  • EINECS
  • CAS No. 142355-83-7
  • Article Data10
  • CAS DataBase
  • Density 1.018 g/cm3
  • Solubility
  • Melting Point
  • Formula C14H27NO3
  • Boiling Point 355.1 °C at 760 mmHg
  • Molecular Weight 257.373
  • Flash Point 168.6 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 142355-83-7 (tert-butyl 4-(4-hydroxybutyl)piperidine-1-carboxylate)
  • Hazard Symbols
  • Synonyms 2-Methyl-2-propanyl 4-(4-hydroxybutyl)-1-piperidinecarboxylate; tert-butyl 4-(4-hydroxybutyl)piperidine-1-carboxylate
  • PSA 49.77000
  • LogP 2.73400

4-(4-Hydroxybutyl)piperidine-1-carboxylic acid tert-butyl ester Specification

This chemical is called 4-(4-Hydroxybutyl)piperidine-1-carboxylic acid tert-butyl ester, and its systematic name is tert-butyl 4-(4-hydroxybutyl)piperidine-1-carboxylate. With the molecular formula of C14H27NO3, its molecular weight is 257.37. The CAS registry number of this chemical is 142355-83-7.

Other characteristics of the 4-(4-Hydroxybutyl)piperidine-1-carboxylic acid tert-butyl ester can be summarised as followings: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.14; (4)ACD/LogD (pH 7.4): 2.14; (5)ACD/BCF (pH 5.5): 24.88; (6)ACD/BCF (pH 7.4): 24.88; (7)ACD/KOC (pH 5.5): 347.32; (8)ACD/KOC (pH 7.4): 347.32; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 71.56 cm3; (15)Molar Volume: 252.7 cm3; (16)Polarizability: 28.37×10-24cm3; (17)Surface Tension: 37.2 dyne/cm; (18)Density: 1.018 g/cm3; (19)Flash Point: 168.6 °C; (20)Enthalpy of Vaporization: 69.49 kJ/mol; (21)Boiling Point: 355.1 °C at 760 mmHg; (22)Vapour Pressure: 1.82E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC(C)(C)C)N1CCC(CC1)CCCCO
2.InChI: InChI=1/C14H27NO3/c1-14(2,3)18-13(17)15-9-7-12(8-10-15)6-4-5-11-16/h12,16H,4-11H2,1-3H3
3.InChIKey: GVOGVPFQDCQZNP-UHFFFAOYAT
4.Std. InChI: InChI=1S/C14H27NO3/c1-14(2,3)18-13(17)15-9-7-12(8-10-15)6-4-5-11-16/h12,16H,4-11H2,1-3H3
5.Std. InChIKey: GVOGVPFQDCQZNP-UHFFFAOYSA-N

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