10-nitroanthracen-9-amine

• ChemBase ID: 111900
• Molecular Formular: C14H10N2O2
• Molecular Mass: 238.2414
• Monoisotopic Mass: 238.07422757
• SMILES: Nc1c2ccccc2c(c2c1cccc2)[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1c2ccccc2c(c2c1cccc2)N
• InChI: InChI=1S/C14H10N2O2/c15-13-9-5-1-3-7-11(9)14(16(17)18)12-8-4-2-6-10(12)13/h1-8H,15H2
• InChIKey: JYYCIMOUZMLUTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-nitroanthracen-9-amine
• IUPAC Traditional name: 10-nitroanthracen-9-amine
• Synonyms: 9-NITRO-10-AMINO ANTHRACENE

Database IDs

• PubChem SID: 162106554
• PubChem CID: 4606838

CALCULATED PROPERTIES

• Acid pKa: 18.15819
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.0632522
• LogD (pH = 7.4): 3.0632575
• Log P: 3.0632575
• Molar Refractivity: 70.9835 cm^3
• Polarizability: 28.411806 Å^3
• Polar Surface Area: 71.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05221635

MP Biomedicals Rare Chemical collection