Product Name

  • Name

    3-Methoxypiperidine

  • EINECS
  • CAS No. 4045-29-8
  • Article Data6
  • CAS DataBase
  • Density 0.93 g/cm3
  • Solubility
  • Melting Point
  • Formula C6H13NO
  • Boiling Point 149.9 °C at 760 mmHg
  • Molecular Weight 115.175
  • Flash Point 49.7 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 4045-29-8 (3-Methoxypiperidine)
  • Hazard Symbols Xi
  • Synonyms Piperidine, 3-methoxy-;3-Methoxy-piperidine hydrochloride;
  • PSA 21.26000
  • LogP 0.71360

3-Methoxypiperidine Specification

The 3-Methoxypiperidine with the cas number 4045-29-8 is also called Piperidine, 3-methoxy-. Its molecular formula is C6H13NO. The product Category is pharmacetical. This chemical is sensitive to air. And it is irritant. While using this chemical, you should be very cautious.

The properties of the chemical are: (1)ACD/LogP: 0.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.09; (4)ACD/LogD (pH 7.4): -2.57; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.448; (14)Molar Refractivity: 33.14 cm3; (15)Molar Volume: 123.7 cm3; (16)Polarizability: 13.14×10-24cm3; (17)Surface Tension: 29 dyne/cm; (18)Enthalpy of Vaporization: 38.68 kJ/mol; (19)Vapour Pressure: 3.93 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(C)C1CCCNC1
(2)InChI: InChI=1/C6H13NO/c1-8-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3
(3)InChIKey: MRWRHHSVHWCISU-UHFFFAOYAR

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