1-(3-carboxypropyl)-N,N,11,11-tetramethyl-1,2,3,4,9,11-hexahydro-1-azatetracen-9-iminium perchlorate

• ChemBase ID: 155865
• Molecular Formular: C25H31ClN2O6
• Molecular Mass: 490.97644
• Monoisotopic Mass: 490.1870644
• SMILES: CC1(c2cc3c(cc2C=C2C1=CC(=[N+](C)C)C=C2)CCCN3CCCC(=O)O)C.[O-][Cl](=O)(=O)=O
• Canonical SMILES: [O-][Cl](=O)(=O)=O.OC(=O)CCCN1CCCc2c1cc1c(c2)C=C2C(=CC(=[N+](C)C)C=C2)C1(C)C
• InChI: InChI=1S/C25H30N2O2.ClHO4/c1-25(2)21-15-20(26(3)4)10-9-17(21)13-19-14-18-7-5-11-27(12-6-8-24(28)29)23(18)16-22(19)25;2-1(3,4)5/h9-10,13-16H,5-8,11-12H2,1-4H3;(H,2,3,4,5)
• InChIKey: SLQQGEVQWLDVDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-carboxypropyl)-N,N,11,11-tetramethyl-1,2,3,4,9,11-hexahydro-1-azatetracen-9-iminium perchlorate
• IUPAC Traditional name: 1-(3-carboxypropyl)-N,N,11,11-tetramethyl-3,4-dihydro-2H-1-azatetracen-9-iminium perchlorate
• Synonyms: Atto 610

Database IDs

• MDL Number: MFCD03456134
• PubChem SID: 24887316; 162250003
• PubChem CID: 16218546

CALCULATED PROPERTIES

• Acid pKa: 4.2340593
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.322916
• LogD (pH = 7.4): 1.5449106
• Log P: 1.0253751
• Molar Refractivity: 133.4159 cm^3
• Polarizability: 45.072327 Å^3
• Polar Surface Area: 43.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Fluorescence: λex 610 nm; λem 635 nm in 0.1 M phosphate pH 7.0

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: ≥85.0% (HPCE/HPLC)
• Suitability: suitable for fluorescence
• Product Line: BioReagent
• Empirical Formula (Hill Notation): C25H31ClN2O6

DETAILS

Sigma Aldrich - 78493

Application
Atto labels are designed for highest sensitivity applications. A unique combination of advantages makes them highly favorable tools for all kinds of labeling applications. And some of their properties make them specifically interesting for single molecule detection. Atto labels are based on rigid structures and do not show any cis-trans-isomerization, which lowers brightness of signals and leads to environment dependency, e.g., spectral shifts by conjugation. Atto 610 shows an molar extinction of 110,000 and QY of 70% in water (70% in ethanol). Decay time is 3.3 ns.