3-(4-Methyl-2-nitroanilino)propane-1,2-diol

Base Information

• Chemical Name: 3-(4-Methyl-2-nitroanilino)propane-1,2-diol
• CAS No.: 104516-94-1
• Molecular Formula: C10H14N2O4
• DSSTox Substance ID: DTXSID60600626

Synonyms:104516-94-1;3-(4-Methyl-2-nitroanilino)propane-1,2-diol;1,2-Propanediol, 3-[(4-methyl-2-nitrophenyl)amino]-;SCHEMBL8655505;DTXSID60600626;AKOS015518836

Chemical Property of 3-(4-Methyl-2-nitroanilino)propane-1,2-diol

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 226.09535693
• Heavy Atom Count: 16
• Complexity: 231

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)NCC(CO)O)[N+](=O)[O-]

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