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(1)-1-Methylpyrrolidine-2-methanol

  • Name (1)-1-Methylpyrrolidine-2-methanol
  • EINECS250-312-8
  • CAS No. 30727-24-3
  • Density0.973 g/cm3
  • PSA23.47000
  • LogP0.01080
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC6H13NO
  • Boiling Point164.8 °C at 760 mmHg
  • Molecular Weight115.175
  • Flash Point63.3 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 30727-24-3 ((±)-1-methylpyrrolidine-2-methanol)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data10

(1)-1-Methylpyrrolidine-2-methanol Specification

The (1)-1-Methylpyrrolidine-2-methanol, with the CAS registry number of 30727-24-3, is also known as (±)-1-Methylpyrrolidine-2-methanol. Its EINECS registry number is 250-312-8. The molecular formula of this chemical is C6H13NO and its molecular weight is 115.1735. What's more, its systematic name is (1-Methylpyrrolidin-2-yl)methanol.

Physical properties about (1)-1-Methylpyrrolidine-2-methanol are: (1)ACD/LogP: 0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.63; (4)ACD/LogD (pH 7.4): -1.94; (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: 2; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 32.95 cm3; (15)Molar Volume: 118.3 cm3; (16)Polarizability: 13.06×10-24 cm3; (17)Surface Tension: 32.2 dyne/cm; (18)Density: 0.973 g/cm3; (19)Flash Point: 63.3 °C; (20)Enthalpy of Vaporization: 46.74 kJ/mol; (21)Boiling Point: 164.8 °C at 760 mmHg; (22)Vapour Pressure: 0.649 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCC1N(C)CCC1
(2) InChI: InChI=1/C6H13NO/c1-7-4-2-3-6(7)5-8/h6,8H,2-5H2,1H3
(3) InChIKey: VCOJPHPOVDIRJK-UHFFFAOYAK

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