7-ethoxyacridine-3,9-diamine

• ChemBase ID: 109812
• Molecular Formular: C15H15N3O
• Molecular Mass: 253.2991
• Monoisotopic Mass: 253.12151212
• SMILES: CCOc1ccc2nc3cc(N)ccc3c(N)c2c1
• Canonical SMILES: CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N
• InChI: InChI=1S/C15H15N3O/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13/h3-8H,2,16H2,1H3,(H2,17,18)
• InChIKey: CIKWKGFPFXJVGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-ethoxyacridine-3,9-diamine
• IUPAC Traditional name: 2-ethoxy-6,9-diaminoacridine
• Synonyms: 6,9-DIAMINO-2-ETHOXYACRIDINE LACTATE

Database IDs

• CAS Number: 1837-57-6
• EC Number: 217-408-1
• PubChem SID: 162095202
• PubChem CID: 2017

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.34966347
• LogD (pH = 7.4): 0.37737724
• Log P: 2.0475123
• Molar Refractivity: 76.6701 cm^3
• Polarizability: 31.169264 Å^3
• Polar Surface Area: 74.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: OD4725000

DETAILS

MP Biomedicals - 05212677

MP Biomedicals Rare Chemical collection