15-azapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene

• ChemBase ID: 156234
• Molecular Formular: C21H13N
• Molecular Mass: 279.33462
• Monoisotopic Mass: 279.10479942
• SMILES: c1ccc2c(c1)cc1c3ccccc3c3ccccc3c1n2
• Canonical SMILES: c1ccc2c(c1)nc1c(c2)c2ccccc2c2c1cccc2
• InChI: InChI=1S/C21H13N/c1-6-12-20-14(7-1)13-19-17-10-3-2-8-15(17)16-9-4-5-11-18(16)21(19)22-20/h1-13H
• InChIKey: GUZBPGZOTDAWBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 15-azapentacyclo[12.8.0.0^2,^7.0^8,^1^3.0^1^6,^2^1]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene
• IUPAC Traditional name: dibenz(A,C)acridine
• Synonyms: Dibenz[a,c]acridine; 二苯并[a,c]吖啶

Database IDs

• CAS Number: 215-62-3
• MDL Number: MFCD00215934
• Beilstein Number: 18500
• PubChem SID: 24892194; 162250372
• PubChem CID: 9165

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.3118215
• LogD (pH = 7.4): 5.4824805
• Log P: 5.485181
• Molar Refractivity: 88.9579 cm^3
• Polarizability: 40.168545 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Temperature: 2-8°C

Product Information

• Grade: BCR® certified Reference Material
• Empirical Formula (Hill Notation): C21H13N

DETAILS

Sigma Aldrich - BCR155

Legal Information
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