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cis-pyrrolidine-3,4-diyldimethanol

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  • Name cis-pyrrolidine-3,4-diyldimethanol
  • EINECSN/A
  • CAS No. 848616-45-5
  • Density1.076 g/cm3
  • PSA52.49000
  • LogP-0.86460
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC6H13NO2
  • Boiling Point263.4 °C at 760 mmHg
  • Molecular Weight131.175
  • Flash Point137.5 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 848616-45-5 (cis-pyrrolidine-3,4-diyldimethanol)
  • Hazard SymbolsN/A
  • SynonymsN/A

cis-pyrrolidine-3,4-diyldimethanol Specification

The chemical with CAS registry number of 848616-45-5 is known as cis-pyrrolidine-3,4-diyldimethanol. It's systematic name is [(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol. In addition, the formula is C6H13NO2 and the molecular weight is 131.17.

Physical properties about cis-pyrrolidine-3,4-diyldimethanol are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 3; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 21.7Å2; (9)Index of Refraction: 1.473; (10)Molar Refractivity: 34.25 cm3; (11)Molar Volume: 121.8 cm3; (12)Polarizability: 13.57×10-24cm3; (13)Surface Tension: 44.6 dyne/cm; (14)Density: 1.076 g/cm3; (15)Flash Point: 137.5 °C; (16)Enthalpy of Vaporization: 58.21 kJ/mol; (17)Boiling Point: 263.4 °C at 760 mmHg; (18)Vapour Pressure: 0.00145 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: C1C(C(CN1)CO)CO
2. InChI: InChI=1/C6H13NO2/c8-3-5-1-7-2-6(5)4-9/h5-9H,1-4H2/t5-,6+
3. InChIKey: ZRERAZQFEFFXSJ-OLQVQODUBU
4. Std. InChI: InChI=1S/C6H13NO2/c8-3-5-1-7-2-6(5)4-9/h5-9H,1-4H2/t5-,6+
5. Std. InChIKey: ZRERAZQFEFFXSJ-OLQVQODUSA-N

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