7-methoxy-9H-fluorene-2,6-diamine

• ChemBase ID: 138764
• Molecular Formular: C14H14N2O
• Molecular Mass: 226.27376
• Monoisotopic Mass: 226.11061308
• SMILES: COc1cc2c(cc1N)c1ccc(cc1C2)N
• Canonical SMILES: COc1cc2Cc3c(c2cc1N)ccc(c3)N
• InChI: InChI=1S/C14H14N2O/c1-17-14-6-9-4-8-5-10(15)2-3-11(8)12(9)7-13(14)16/h2-3,5-7H,4,15-16H2,1H3
• InChIKey: NRNGVOUKSIZFDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-9H-fluorene-2,6-diamine
• IUPAC Traditional name: 7-methoxy-9H-fluorene-2,6-diamine
• Synonyms: 3,7-Diamino-2-methoxyfluorene; 3,7-二氨基-2-甲氧基芴

Database IDs

• CAS Number: 130859-21-1
• MDL Number: MFCD00010772
• PubChem SID: 162233015
• PubChem CID: 276255

CALCULATED PROPERTIES

• Acid pKa: 17.50366
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.8763386
• LogD (pH = 7.4): 1.9228776
• Log P: 1.9234962
• Molar Refractivity: 70.7374 cm^3
• Polarizability: 27.144423 Å^3
• Polar Surface Area: 61.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C14H14N2O