3-(Pentylcarbamoyl)-7-oxabicyclo(2.2.1)heptane-2-carboxylic acid

Base Information

• Chemical Name: 3-(Pentylcarbamoyl)-7-oxabicyclo(2.2.1)heptane-2-carboxylic acid
• CAS No.: 73806-05-0
• Molecular Formula: C13H21NO4
• Molecular Weight: 255.3101
• DSSTox Substance ID: DTXSID70994801
• Nikkaji Number: J59.397D
• Mol file: 73806-05-0.mol

Synonyms:73806-05-0;N-Amyl-3,6-endoxohexahydro-phthalamic acid;3-(Pentylcarbamoyl)-7-oxabicyclo(2.2.1)heptane-2-carboxylic acid;7-Oxabicyclo(2.2.1)heptane-2-carboxylic acid, 3-(pentylcarbamoyl)-;SCHEMBL3497074;DTXSID70994801;LS-98671;3-Pentylcarbamoyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;7-Oxabicyclo[2.2.1]heptane-2-carboxylic acid, 3-[(pentylamino)carbonyl]-;3-[Hydroxy(pentylimino)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

Chemical Property of 3-(Pentylcarbamoyl)-7-oxabicyclo(2.2.1)heptane-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 3.95E-11mmHg at 25°C
• Boiling Point: 494.6°Cat760mmHg
• Flash Point: 252.9°C
• PSA: 79.12000
• Density: 1.189g/cm³
• LogP: 2.01130
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 255.14705815
• Heavy Atom Count: 18
• Complexity: 331

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCNC(=O)C1C2CCC(C1C(=O)O)O2