Found 1 result

Search term: 3-amino-5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidin-2-one (Found by synonym)
ChemSpider 2D Image | 3-Amino-5-(4-hydroxybenzyl)-4,4-dimethyl-2-pyrrolidinone | C13H18N2O2

3-Amino-5-(4-hydroxybenzyl)-4,4-dimethyl-2-pyrrolidinone

  • Molecular FormulaC13H18N2O2
  • Average mass234.294 Da
  • Monoisotopic mass234.136826 Da
  • ChemSpider ID88293899

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Pyrrolidinone, 3-amino-5-[(4-hydroxyphenyl)methyl]-4,4-dimethyl- [ACD/Index Name]
3-Amino-5-(4-hydroxybenzyl)-4,4-dimethyl-2-pyrrolidinon [German] [ACD/IUPAC Name]
3-Amino-5-(4-hydroxybenzyl)-4,4-dimethyl-2-pyrrolidinone [ACD/IUPAC Name]
3-Amino-5-(4-hydroxybenzyl)-4,4-diméthyl-2-pyrrolidinone [French] [ACD/IUPAC Name]
3-amino-5-(4-hydroxybenzyl)-4,4-dimethylpyrrolidin-2-one
3-amino-5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidin-2-one
3-amino-5-[(p-hydroxyphenyl) methyl]-4,4-dimethyl-2-pyrrolidinone
  • Miscellaneous

    • Chemical Class:

      A member of the class of pyrrolidin-2-ones that is pyrrolidin-2-one which is substituted by an amino group at position 3, by two methyl groups at position 4 and by a 4-hydroxybenzyl group at position 5. It is a biosynthetic precursor in the synthesis of mycofactocin. ChEBI CHEBI:153570

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 456.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 230.0±25.9 °C
Index of Refraction: 1.559
Molar Refractivity: 65.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.33
ACD/LogD (pH 5.5): -1.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.32
Polar Surface Area: 75 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 204.0±3.0 cm3

Click to predict properties on the Chemicalize site


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