2,9-dimethyl-1,10-phenanthroline hydrochloride

• ChemBase ID: 102648
• Molecular Formular: C14H13ClN2
• Molecular Mass: 244.71942
• Monoisotopic Mass: 244.07672611
• SMILES: Cl.Cc1nc2c(cc1)ccc1c2nc(C)cc1
• Canonical SMILES: Cc1ccc2c(n1)c1nc(C)ccc1cc2.Cl
• InChI: InChI=1S/C14H12N2.ClH/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;/h3-8H,1-2H3;1H
• InChIKey: QUGBNSJLQDNNPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,9-dimethyl-1,10-phenanthroline hydrochloride
• IUPAC Traditional name: 2,9-dimethyl-1,10-phenanthroline hydrochloride
• Synonyms: 2,9-Dimethyl-1,10-phenanthroline HCl; NEOCUPROINE HYDROCHLORIDE; NEOCUPROINE HCl

Database IDs

• CAS Number: 7296-20-0
• EC Number: 230-732-8
• PubChem SID: 162089963
• PubChem CID: 81718

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.280519
• LogD (pH = 7.4): 2.5465255
• Log P: 2.5512955
• Molar Refractivity: 63.0836 cm^3
• Polarizability: 27.291502 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 02102435

Hydrochloride
Purity: 99%
Yellow crystals

MP Biomedicals - 05223098

MP Biomedicals Rare Chemical collection