beta-Alanine, N-((6-((4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl)-2-pyridinyl)carbonyl)-N-ethyl-

Base Information

• Chemical Name: beta-Alanine, N-((6-((4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl)-2-pyridinyl)carbonyl)-N-ethyl-
• CAS No.: 146461-98-5
• Molecular Formula: C22H26 N2 O6
• Molecular Weight: 414.4516
• DSSTox Substance ID: DTXSID10163377
• Wikidata: Q83032269
• ChEMBL ID: CHEMBL34956
• Mol file: 146461-98-5.mol

Synonyms:SM 15178;SM-15178

Chemical Property of beta-Alanine, N-((6-((4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl)-2-pyridinyl)carbonyl)-N-ethyl-

Chemical Property:

• Vapor Pressure: 1.86E-19mmHg at 25°C
• Boiling Point: 680.6°Cat760mmHg
• Flash Point: 365.4°C
• PSA: 117.03000
• Density: 1.257g/cm³
• LogP: 3.06800
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 414.17908655
• Heavy Atom Count: 30
• Complexity: 598

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=C(C=C1OCC2=NC(=CC=C2)C(=O)N(CC)CCC(=O)O)O)C(=O)C