Product Name

  • Name

    3-Hydroxymethylpyrrolidine

  • EINECS
  • CAS No. 5082-74-6
  • Article Data27
  • CAS DataBase
  • Density 0.979 g/cm3
  • Solubility Slightly soluble in water
  • Melting Point
  • Formula C5H11NO
  • Boiling Point 176.136 °C at 760 mmHg
  • Molecular Weight 101.148
  • Flash Point 89.626 °C
  • Transport Information
  • Appearance
  • Safety 26
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 5082-74-6 (3-Hydroxymethylpyrrolidine)
  • Hazard Symbols Xi
  • Synonyms 3-(Hydroxymethyl)pyrrolidine;Pyrrolidin-3-ylmethanol;3-Pyrrolidinemethanol;
  • PSA 32.26000
  • LogP -0.08300

3-Hydroxymethylpyrrolidine Specification

The 3-Hydroxymethylpyrrolidine is an organic compound with the formula C5H11NO. The IUPAC name of this chemical is pyrrolidin-3-ylmethanol. With the CAS registry number 5082-74-6, it is also named as 3-pyrrolidinemethanol. The product's categories are Pyrrolidine Series; Pharmacetical; Pyrrole & Pyrrolidine& Pyrroline; API Intermediates. The molecular weight is 101.15.

The other characteristics of 3-Hydroxymethylpyrrolidine can be summarized as: (1)ACD/LogP: -0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 32.26 Å2; (11)Index of Refraction: 1.455; (12)Molar Refractivity: 28.024 cm3; (13)Molar Volume: 103.32 cm3; (14)Polarizability: 11.109×10-24 cm3; (15)Surface Tension: 36.555 dyne/cm; (16)Enthalpy of Vaporization: 48.017 kJ/mol; (17)Vapour Pressure: 0.339 mmHg at 25°C; (18)Rotatable Bond Count: 1; (19)Exact Mass: 101.084064; (20)MonoIsotopic Mass: 101.084064; (21)Topological Polar Surface Area: 32.3; (22)Heavy Atom Count: 7; (23)Complexity: 56.

People can use the following data to convert to the molecule structure.
1. SMILES:OCC1CCNC1
2. InChI:InChI=1/C5H11NO/c7-4-5-1-2-6-3-5/h5-7H,1-4H2
3. InChIKey:QOTUIIJRVXKSJU-UHFFFAOYAB
4. Std. InChI:InChI=1S/C5H11NO/c7-4-5-1-2-6-3-5/h5-7H,1-4H2
5. Std. InChIKey:QOTUIIJRVXKSJU-UHFFFAOYSA-N

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