trinitroamine

• ChemBase ID: 130017
• Molecular Formular: N4O6
• Molecular Mass: 152.0232
• Monoisotopic Mass: 151.98178374
• SMILES: O=[N+]([O-])N([N+](=O)[O-])[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)N([N+](=O)[O-])[N+](=O)[O-]
• InChI: InChI=1S/N4O6/c5-2(6)1(3(7)8)4(9)10
• InChIKey: LZLKDWBQTGTOQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trinitroamine
• IUPAC Traditional name: trinitramide
• Synonyms: Trinitroamine; Trinitramide

Database IDs

• CAS Number: 113282-38-5
• PubChem SID: 162224303
• PubChem CID: 57459337
• Chemspider ID: 24751851
• Wikipedia Title: Trinitramide

CALCULATED PROPERTIES

• H Acceptors: 9
• H Donor: 0
• LogD (pH = 5.5): 0.3984067
• LogD (pH = 7.4): 0.3984067
• Log P: 0.3984067
• Molar Refractivity: 26.2252 cm^3
• Polarizability: 8.430228 Å^3
• Polar Surface Area: 140.7 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true