9-(4-aminophenyl)acridin-3-amine; nitric acid

• ChemBase ID: 108319
• Molecular Formular: C19H16N4O3
• Molecular Mass: 348.35534
• Monoisotopic Mass: 348.12224039
• SMILES: O[N+](=O)[O-].Nc1ccc(cc1)c1c2ccc(N)cc2nc2ccccc12
• Canonical SMILES: Nc1ccc(cc1)c1c2ccccc2nc2c1ccc(c2)N.[O-][N+](=O)O
• InChI: InChI=1S/C19H15N3.HNO3/c20-13-7-5-12(6-8-13)19-15-3-1-2-4-17(15)22-18-11-14(21)9-10-16(18)19;2-1(3)4/h1-11H,20-21H2;(H,2,3,4)
• InChIKey: QOXAQWDBAHKGBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(4-aminophenyl)acridin-3-amine; nitric acid
• IUPAC Traditional name: 9-(4-aminophenyl)acridin-3-amine; acid, nitric
• Synonyms: CHRYSANILINE

Database IDs

• CAS Number: 10181-37-0
• PubChem SID: 162094112
• PubChem CID: 44135890

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.9350203
• LogD (pH = 7.4): 3.1040854
• Log P: 3.495601
• Molar Refractivity: 90.5945 cm^3
• Polarizability: 38.01689 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05206916

MP Biomedicals Rare Chemical collection