Want to comment
on this record?

4-(2-Allyl-4-chlorophenoxy)-N-sec-butyl-1-butanamine ethanedioate (1:1)

ChemSpider ID: 2207532
Molecular Formula: C₁₉H₂₈ClNO₅
Average mass: 385.882294 Da
Monoisotopic mass: 385.165588 Da
Systematic name

4-(2-Allyl-4-chlorophenoxy)-N-sec-butyl-1-butanamine ethanedioate (1:1)
SMILES and InChIs

SMILES:

Clc1cc(c(OCCCCNC(C)CC)cc1)C\C=C.O=C(O)C(=O)O Copied

Std. InChI:

InChI=1S/C17H26ClNO.C2H2O4/c1-4-8-15-13-16(18)9-10-17(15)20-12-7-6-11-19-14(3)5-2;3-1(4)2(5)6/h4,9-10,13-14,19H,1,5-8,11-12H2,2-3H3;(H,3,4)(H,5,6) Copied

Std. InChIKey:

JSUSRELCYFYYPW-UHFFFAOYSA-N Copied
Cite this record
CSID:2207532, http://www.chemspider.com/Chemical-Structure.2207532.html (accessed 05:53, May 25, 2012) Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

[4-(2-allyl-4-chlorophenoxy)butyl]sec-butylamine oxalate

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Click to predict properties on the Chemicalize site

Patents	Personal Collections
Publication or Magazine Article	Web-based Article (blog or commentary)
Available Chemicals Databases	Biological Properties
Chemical Reactions	Chemical Safety Data
Drugs or Compounds in Development	Imaging Agents
Information Aggregators	Journal Publishers via MeSH
Ligand/binding/crystal Structure Databases	Metabolic Pathways
Molecular Libraries Screening Center Network	Natural Products
NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library

Advertise Sponsor