3,8-diamino-5-methyl-6-phenylphenanthridin-5-ium bromide

• ChemBase ID: 103213
• Molecular Formular: C20H18BrN3
• Molecular Mass: 380.28102
• Monoisotopic Mass: 379.06840959
• SMILES: [Br-].C[n+]1c2cc(N)ccc2c2ccc(N)cc2c1c1ccccc1
• Canonical SMILES: Nc1ccc2c(c1)c(c1ccccc1)[n+](c1c2ccc(c1)N)C.[Br-]
• InChI: InChI=1S/C20H17N3.BrH/c1-23-19-12-15(22)8-10-17(19)16-9-7-14(21)11-18(16)20(23)13-5-3-2-4-6-13;/h2-12,22H,21H2,1H3;1H
• InChIKey: MQOKYEROIFEEBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,8-diamino-5-methyl-6-phenylphenanthridin-5-ium bromide
• IUPAC Traditional name: 3,8-diamino-5-methyl-6-phenylphenanthridin-5-ium bromide
• Synonyms: 3,8-Diamino-5-methyl-6-phenylphenanthridinium bromide; Dimidium bromide; 3,8-Diamino-5-methyl-6-phenyl-phenanthridinium bromide; Trypadine; DIMIDIUM BROMIDE; 3,8-二氨基-5-甲基-6-苯基溴化菲啶鎓盐

Database IDs

• CAS Number: 518-67-2
• EC Number: 208-256-7
• MDL Number: MFCD00011757
• Beilstein Number: 3809779
• PubChem SID: 24893294; 24854036; 24866185; 162090635
• PubChem CID: 68207

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.275742
• LogD (pH = 7.4): -1.2701377
• Log P: -1.2700658
• Molar Refractivity: 97.2489 cm^3
• Polarizability: 40.02613 Å^3
• Polar Surface Area: 55.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 230°C (decomposes); 230°C dec.; 243-248 °C(lit.)
• Fluorescence: λex 306 nm; λem 612 nm in 50 mM Tris pH 8.0 (DNA); λex 480 (pH 7.6, low ionic strength)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: SF7960500
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ~95%; ~95% (AT); ≥95%; 95%
• Suitability: suitable for fluorescence
• Product Line: BioReagent
• Empirical Formula (Hill Notation): C20H18BrN3

DETAILS

MP Biomedicals - 02150958

Purity: ~95%
Fluorescent probe for nucleic acids; interchelating agent

Sigma Aldrich - 41785

Application
Intercalating probe for nucleic acids.1
Packaging
1 g in glass bottle
250 mg in glass bottle

Sigma Aldrich - D0773

Application
Intercalating probe for nucleic acids.1

Sigma Aldrich - 234281

Application
Intercalating probe for nucleic acids.1