L-Alanine, N-(phenylacetyl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-, methyl ester

Base Information

• Chemical Name: L-Alanine, N-(phenylacetyl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-, methyl ester
• CAS No.: 98166-00-8
• Molecular Formula: C18H23 N3 O3
• Molecular Weight: 329.3935
• DSSTox Substance ID: DTXSID90243489
• Wikidata: Q83127584

Synonyms:L-Alanine, N-(phenylacetyl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-, methyl ester;98166-00-8;Methyl (2S)-2-((2-phenylacetyl)-(1,3,5-trimethylpyrazol-4-yl)amino)propanoate;DTXSID90243489

Chemical Property of L-Alanine, N-(phenylacetyl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-, methyl ester

Chemical Property:

• Vapor Pressure: 7.9E-10mmHg at 25°C
• Boiling Point: 492.1°C at 760 mmHg
• Flash Point: 251.4°C
• Density: 1.14g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 329.17394160
• Heavy Atom Count: 24
• Complexity: 451

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=NN1C)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2
• Isomeric SMILES: CC1=C(C(=NN1C)C)N([C@@H](C)C(=O)OC)C(=O)CC2=CC=CC=C2

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