4-{2-[4-(dibutylamino)phenyl]ethenyl}-1-[3-(triethylazaniumyl)propyl]pyridin-1-ium dibromide

• ChemBase ID: 158610
• Molecular Formular: C30H49Br2N3
• Molecular Mass: 611.53816
• Monoisotopic Mass: 609.22932258
• SMILES: CCCCN(CCCC)c1ccc(cc1)/C=C/c1cc[n+](cc1)CCC[N+](CC)(CC)CC.[Br-].[Br-]
• Canonical SMILES: CCCCN(c1ccc(cc1)/C=C/c1cc[n+](cc1)CCC[N+](CC)(CC)CC)CCCC.[Br-].[Br-]
• InChI: InChI=1S/C30H49N3.2BrH/c1-6-11-23-32(24-12-7-2)30-18-16-28(17-19-30)14-15-29-20-25-31(26-21-29)22-13-27-33(8-3,9-4)10-5;;/h14-21,25-26H,6-13,22-24,27H2,1-5H3;2*1H/q+2;;/p-2
• InChIKey: VZUVCAGXYLMFEC-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-[4-(dibutylamino)phenyl]ethenyl}-1-[3-(triethylazaniumyl)propyl]pyridin-1-ium dibromide
• IUPAC Traditional name: 4-{2-[4-(dibutylamino)phenyl]ethenyl}-1-[3-(triethylammonio)propyl]pyridin-1-ium dibromide
• Synonyms: FM1-43; N-(3-triethylammoniumpropyl) -4-(4-(dibutylamino)styryl) pyridinium dibromide; Pyridinium, 4-[2-[4-(dibutylamino)phenyl]ethenyl]- 1-[3-(triethylammonio)propyl]- , dibromide; SynaptoGreen™ C4

Database IDs

• CAS Number: 149838-22-2
• MDL Number: MFCD00467815
• PubChem SID: 162252746
• PubChem CID: 6508724

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.6810997
• LogD (pH = 7.4): -1.1203111
• Log P: -1.1054206
• Molar Refractivity: 160.731 cm^3
• Polarizability: 56.809074 Å^3
• Polar Surface Area: 7.12 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: DMSO: soluble; H2O: soluble
• Apperance: dark red solid

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ≥95% (HPLC)
• Empirical Formula (Hill Notation): C30H49Br2N3

DETAILS

Sigma Aldrich - S6814

Biochem/physiol Actions
A fluorescent nerve terminal dye suitable for monitoring synaptic activity at synapses and at neuromuscular junctions.
Other Notes
Component of NTSI, also sold individually.
Legal Information
SynaptoGreen is a trademark of Biotium, Inc.