beta-Alanine, N-(2-methoxy-5-nitrophenyl)-, 2-methoxyethyl ester

Base Information

• Chemical Name: beta-Alanine, N-(2-methoxy-5-nitrophenyl)-, 2-methoxyethyl ester
• CAS No.: 68133-25-5
• Molecular Formula: C13H18N2O6
• Molecular Weight: 298.29182
• European Community (EC) Number: 268-668-8
• DSSTox Substance ID: DTXSID9071131
• Nikkaji Number: J317.354B
• Wikidata: Q81998663
• Mol file: 68133-25-5.mol

Synonyms:68133-25-5;2-Methoxyethyl N-(2-methoxy-5-nitrophenyl)-beta-alaninate;EINECS 268-668-8;N-(2-Methoxy-5-nitrophenyl)-beta-alanine, 2-methoxyethyl ester;beta-Alanine, N-(2-methoxy-5-nitrophenyl)-, 2-methoxyethyl ester;.beta.-Alanine, N-(2-methoxy-5-nitrophenyl)-, 2-methoxyethyl ester;DTXSID9071131;N-(2-Methoxy-5-nitrophenyl)-beta-alanine 2-methoxyethyl ester

Chemical Property of beta-Alanine, N-(2-methoxy-5-nitrophenyl)-, 2-methoxyethyl ester

Chemical Property:

• Boiling Point: 463.8oC at 760 mmHg
• Flash Point: 234.3oC
• PSA: 102.61000
• Density: 1.258g/cm3
• LogP: 2.19120
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 298.11648630
• Heavy Atom Count: 21
• Complexity: 333

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCCOC(=O)CCNC1=C(C=CC(=C1)[N+](=O)[O-])OC

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