5-azatetraphene

• ChemBase ID: 156282
• Molecular Formular: C17H11N
• Molecular Mass: 229.27594
• Monoisotopic Mass: 229.08914936
• SMILES: c1ccc2c(c1)ccc1c2cc2ccccc2n1
• Canonical SMILES: c1ccc2c(c1)cc1c(n2)ccc2c1cccc2
• InChI: InChI=1S/C17H11N/c1-3-7-14-12(5-1)9-10-17-15(14)11-13-6-2-4-8-16(13)18-17/h1-11H
• InChIKey: JEGZRTMZYUDVBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-azatetraphene
• IUPAC Traditional name: benz(C)acridine
• Synonyms: Benz[a]acridine; 苯并[a]吖啶

Database IDs

• CAS Number: 225-11-6
• MDL Number: MFCD00215932
• Beilstein Number: 9262
• PubChem SID: 24892196; 162250420
• PubChem CID: 9180

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.922633
• LogD (pH = 7.4): 4.4801188
• Log P: 4.495704
• Molar Refractivity: 72.5077 cm^3
• Polarizability: 32.46081 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Temperature: 2-8°C

Product Information

• Grade: BCR® certified Reference Material
• Empirical Formula (Hill Notation): C17H11N

DETAILS

Sigma Aldrich - BCR157

Legal Information
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