Deprecated ChemSpider Record

You have reached the page for a ChemSpider record that has been deprecated.

This page is not active and is only accessible by directly using this URL. If you have been directed here from another website or database please notify the administrator of that resource. See below for more details.

ChemSpider 2D Image | 4-Amino-3-(3,4,5-trimethoxyphenyl)butanoic acid | C13H19NO5

4-Amino-3-(3,4,5-trimethoxyphenyl)butanoic acid

  • Molecular FormulaC13H19NO5
  • Average mass269.294 Da
  • Monoisotopic mass269.126000 Da
  • ChemSpider ID25737837

More details:

Date of deprecation: 13:28, May 12, 2014
Reason for deprecation: Deprecate record: there are no supporting data sources.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

4-Amino-3-(3,4,5-trimethoxyphenyl)butanoic acid [ACD/IUPAC Name]
4-Amino-3-(3,4,5-trimethoxyphenyl)butansäure [German] [ACD/IUPAC Name]
Acide 4-amino-3-(3,4,5-triméthoxyphényl)butanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, β-(aminomethyl)-3,4,5-trimethoxy- [ACD/Index Name]
?-?(aminomethyl)?-?3,?4,?5-?trimethoxy-Benzenepropanoic acid
127424-86-6 [RN]
4-Amino-3-(3,4,5-trimethoxy-phenyl)-butyric acid
MFCD19362969
β-(aminomethyl)-3,4,5-trimethoxy-Benzenepropanoic acid

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

    Density: 1.2±0.0 g/cm3
    Boiling Point: 424.3±0.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.0 mmHg at 25°C
    Enthalpy of Vaporization: 71.6±0.0 kJ/mol
    Flash Point: 210.4±0.0 °C
    Index of Refraction: 1.533
    Molar Refractivity: 70.2±0.0 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP:
    ACD/LogD (pH 5.5):
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4):
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 91 Å2
    Polarizability: 27.8±0.0 10-24cm3
    Surface Tension: 44.0±0.0 dyne/cm
    Molar Volume: 226.3±0.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement