2-[methyl-[(E)-3-pyridin-3-ylprop-2-enoyl]amino]acetic acid

Base Information

• Chemical Name: 2-[methyl-[(E)-3-pyridin-3-ylprop-2-enoyl]amino]acetic acid
• CAS No.: 148332-70-1
• Molecular Formula: C11H12 N2 O3
• Molecular Weight: 220.22
• Mol file: 148332-70-1.mol

Synonyms:3-pyridylacrylsarcosine

Chemical Property of 2-[methyl-[(E)-3-pyridin-3-ylprop-2-enoyl]amino]acetic acid

Chemical Property:

• Vapor Pressure: 2.28E-10mmHg at 25°C
• Boiling Point: 488.8°Cat760mmHg
• PKA: 3.58±0.10(Predicted)
• Flash Point: 249.4°C
• PSA: 70.50000
• Density: 1.279g/cm³
• LogP: 0.63780
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 220.08479225
• Heavy Atom Count: 16
• Complexity: 289

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CC(=O)O)C(=O)C=CC1=CN=CC=C1
• Isomeric SMILES: CN(CC(=O)O)C(=O)/C=C/C1=CN=CC=C1