1-(3-carboxypropyl)-N,N,2,2,4,11,11-heptamethyl-1,2,9,11-tetrahydro-1-azatetracen-9-iminium perchlorate

• ChemBase ID: 157248
• Molecular Formular: C28H35ClN2O6
• Molecular Mass: 531.0403
• Monoisotopic Mass: 530.21836453
• SMILES: CC1=CC(N(c2c1cc1c(c2)C(C2=CC(=[N+](C)C)C=CC2=C1)(C)C)CCCC(=O)O)(C)C.[O-][Cl](=O)(=O)=O
• Canonical SMILES: [O-][Cl](=O)(=O)=O.OC(=O)CCCN1c2cc3c(cc2C(=CC1(C)C)C)C=C1C(=CC(=[N+](C)C)C=C1)C3(C)C
• InChI: InChI=1S/C28H34N2O2.ClHO4/c1-18-17-27(2,3)30(12-8-9-26(31)32)25-16-24-20(14-22(18)25)13-19-10-11-21(29(6)7)15-23(19)28(24,4)5;2-1(3,4)5/h10-11,13-17H,8-9,12H2,1-7H3;(H,2,3,4,5)
• InChIKey: KIDFITUZQAFBTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-carboxypropyl)-N,N,2,2,4,11,11-heptamethyl-1,2,9,11-tetrahydro-1-azatetracen-9-iminium perchlorate
• IUPAC Traditional name: 1-(3-carboxypropyl)-N,N,2,2,4,11,11-heptamethyl-1-azatetracen-9-iminium perchlorate
• Synonyms: Atto 635

Database IDs

• MDL Number: MFCD05865406
• PubChem SID: 24846239; 162251385
• PubChem CID: 25164064

CALCULATED PROPERTIES

• Acid pKa: 4.5074954
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.385361
• LogD (pH = 7.4): 2.4212215
• Log P: 1.901932
• Molar Refractivity: 147.7175 cm^3
• Polarizability: 50.521084 Å^3
• Polar Surface Area: 43.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Fluorescence: λex 635 nm; λem 659 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: ≥90% (HPCE)
• Suitability: suitable for fluorescence
• Product Line: BioReagent
• Empirical Formula (Hill Notation): C28H35ClN2O6

DETAILS

Sigma Aldrich - 08968

Application
Atto fluorescent labels are designed for high sensitivity applications, including single molecule detection. Atto labels have rigid structures that do not show any cis-trans-isomerization. Thus these labels display exceptional intensity with minimal spectral shift on conjugation.
General description
Atto 635 is a new label with high molecular absorption (120,000) and quantum yield (0.25) as well as sufficient Stokes shift between excitation and emission maximum. This label is optimized for use with diode laser excitation at 635 nm and is characterized by high photostability.