2,4,6-Trinitrophenol-2-{2-[(dimethylamino)methyl]-3,4-dimethylphenyl}propan-2-ol(1:1)

Base Information

• Chemical Name: 2,4,6-Trinitrophenol-2-{2-[(dimethylamino)methyl]-3,4-dimethylphenyl}propan-2-ol(1:1)
• CAS No.: 13997-85-8
• Molecular Formula: C20H26N4O8
• Molecular Weight: 450.4424
• NSC Number: 100684
• DSSTox Substance ID: DTXSID30295225

Synonyms:13997-85-8;NSC100684;2,4,6-trinitrophenol- 2-{2-[(dimethylamino)methyl]-3,4-dimethylphenyl}propan-2-ol(1:1);DTXSID30295225;NSC-100684

Chemical Property of 2,4,6-Trinitrophenol-2-{2-[(dimethylamino)methyl]-3,4-dimethylphenyl}propan-2-ol(1:1)

Chemical Property:

• Vapor Pressure: 0.000457mmHg at 25°C
• Boiling Point: 301.8°C at 760 mmHg
• Flash Point: 107.6°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 450.17506380
• Heavy Atom Count: 32
• Complexity: 516

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C=C1)C(C)(C)O)CN(C)C)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

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