(2S,3S)-N-[2-(4-hydroxyphenyl)ethyl]-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide

Base Information

• Chemical Name: (2S,3S)-N-[2-(4-hydroxyphenyl)ethyl]-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
• CAS No.: 100333-39-9
• Molecular Formula: C19H21 N3 O3
• Molecular Weight: 339.38834
• DSSTox Substance ID: DTXSID40905388
• Wikidata: Q82873864
• Mol file: 100333-39-9.mol

Synonyms:4-NCC;N-(4-hydroxyphenethyl)cotinine carboxamide

Chemical Property of (2S,3S)-N-[2-(4-hydroxyphenyl)ethyl]-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide

Chemical Property:

• Vapor Pressure: 9.85E-19mmHg at 25°C
• Boiling Point: 673.1°Cat760mmHg
• Flash Point: 360.9°C
• PSA: 86.02000
• Density: 1.259g/cm³
• LogP: 2.44370
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 339.15829154
• Heavy Atom Count: 25
• Complexity: 477

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(C(CC1=O)C(=O)NCCC2=CC=C(C=C2)O)C3=CN=CC=C3
• Isomeric SMILES: CN1[C@@H]([C@H](CC1=O)C(=O)NCCC2=CC=C(C=C2)O)C3=CN=CC=C3