10-methyl-3,10-dihydroacridine-3,6-diamine

• ChemBase ID: 109510
• Molecular Formular: C14H15N3
• Molecular Mass: 225.289
• Monoisotopic Mass: 225.1265975
• SMILES: Cn1c2=CC(N)C=Cc2cc2c1cc(N)cc2
• Canonical SMILES: NC1C=Cc2c(=C1)n(C)c1c(c2)ccc(c1)N
• InChI: InChI=1S/C14H15N3/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17/h2-8,11H,15-16H2,1H3
• InChIKey: IYAKONOQGRLRJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-methyl-3,10-dihydroacridine-3,6-diamine
• IUPAC Traditional name: 10-methyl-3H-acridine-3,6-diamine
• Synonyms: ACRIFLAVINE HYDROCHLORIDE

Database IDs

• CAS Number: 86-40-8
• EC Number: 201-668-8
• PubChem SID: 162095145
• PubChem CID: 407200

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.0187879
• LogD (pH = 7.4): -0.60473156
• Log P: 0.9008445
• Molar Refractivity: 75.7128 cm^3
• Polarizability: 26.789083 Å^3
• Polar Surface Area: 55.28 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: AR9625000

DETAILS

MP Biomedicals - 05211372

MP Biomedicals Rare Chemical collection