Product Name

  • Name

    o-Methylvalerolactim

  • EINECS
  • CAS No. 5693-62-9
  • Article Data33
  • CAS DataBase
  • Density 1.02 g/cm3
  • Solubility
  • Melting Point
  • Formula C6H11NO
  • Boiling Point 147.3 °C at 760 mmHg
  • Molecular Weight 113.159
  • Flash Point 37.8 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 5693-62-9 (o-Methylvalerolactim)
  • Hazard Symbols
  • Synonyms 1-Aza-2-methoxy-1-cyclohexene;2,3,4,5-Tetrahydro-6-methoxypyridine;2-Methoxy-3,4,5,6-tetrahydropyridine;3,4,5,6-Tetrahydro-2-methoxypyridine;6-Methoxy-2,3,4,5-tetrahydropyridine;o-Methyl-d-valerolactim;o-Methylpentanolactim;Valerolactim, o-methyl-;Pyridine,2,3,4,5-tetrahydro-6-methoxy-;
  • PSA 21.59000
  • LogP 0.65080

o-Methylvalerolactim Specification

The o-Methylvalerolactim, with the CAS registry number 5693-62-9, is also known as Pyridine, 2, 3, 4, 5-tetrahydro-6-methoxy-. This chemical's molecular formula is C6H11NO and molecular weight is 113.16. What's more, its systematic name is 6-Methoxy-2, 3, 4, 5-tetrahydropyridine. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from light.

Physical properties about o-Methylvalerolactim are: (1)ACD/LogP: 0.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.43; (4)ACD/LogD (pH 7.4): 0.12; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.68; (8)ACD/KOC (pH 7.4): 27.1; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 21.59 Å2; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 31.9 cm3; (15)Molar Volume: 110.5 cm3; (16)Polarizability: 12.64×10-24 cm3; (17)Surface Tension: 31.8 dyne/cm; (18)Density: 1.02 g/cm3; (19)Flash Point: 37.8 °C; (20)Enthalpy of Vaporization: 36.84 kJ/mol; (21)Boiling Point: 147.3 °C at 760 mmHg; (22)Vapour Pressure: 5.64 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(/C1=N/CCCC1)C
(2) InChI: InChI=1/C6H11NO/c1-8-6-4-2-3-5-7-6/h2-5H2,1H3
(3) InChIKey: YNTUHDRALXNDEQ-UHFFFAOYAO

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