(m-Nitrobenzoyl)alanine

Base Information

• Chemical Name: (m-Nitrobenzoyl)alanine
• CAS No.: 153212-71-6
• Molecular Formula: C10H10 N2 O5
• Molecular Weight: 238.2
• DSSTox Substance ID: DTXSID10934701
• Nikkaji Number: J584.739G
• Pharos Ligand ID: 7A8LZ4JY7HT5
• ChEMBL ID: CHEMBL23983
• Mol file: 153212-71-6.mol

Synonyms:(3-nitrobenzoyl)alanine;(m-nitrobenzoyl)alanine;m-nitrobenzoylalanine

Chemical Property of (m-Nitrobenzoyl)alanine

Chemical Property:

• Vapor Pressure: 1.13E-08mmHg at 25°C
• Boiling Point: 444.3°C at 760 mmHg
• PKA: 2.08±0.23(Predicted)
• Flash Point: 222.5°C
• Density: 1.448g/cm³
• XLogP3: -2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 238.05897142
• Heavy Atom Count: 17
• Complexity: 325

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

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