2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide; bis(2-hydroxypropanoic acid)

• ChemBase ID: 158613
• Molecular Formular: C22H27N5O6
• Molecular Mass: 457.47968
• Monoisotopic Mass: 457.19613361
• SMILES: CC(C(=O)O)O.CC(C(=O)O)O.c1cc(ccc1c1cc2ccc(cc2[nH]1)C(=N)N)C(=N)N
• Canonical SMILES: NC(=N)c1ccc(cc1)c1cc2c([nH]1)cc(cc2)C(=N)N.OC(=O)C(O)C.OC(=O)C(O)C
• InChI: InChI=1S/C16H15N5.2C3H6O3/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13;2*1-2(4)3(5)6/h1-8,21H,(H3,17,18)(H3,19,20);2*2,4H,1H3,(H,5,6)
• InChIKey: UPGPSXFDIFAZIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide; bis(2-hydroxypropanoic acid)
• IUPAC Traditional name: DAPI; bis(lactic acid)
• Synonyms: 4′,6-Diamidino-2-phenyindole, dilactate; DAPI, dilactate

Database IDs

• PubChem SID: 162252749
• PubChem CID: 68646313

CALCULATED PROPERTIES

• Acid pKa: 14.501453
• H Acceptors: 4
• H Donor: 5
• LogD (pH = 5.5): -3.3503847
• LogD (pH = 7.4): -3.3225315
• Log P: 1.4801712
• Molar Refractivity: 105.5032 cm^3
• Polarizability: 33.95792 Å^3
• Polar Surface Area: 115.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble20 mg/mL

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98% (HPLC)
• Quality Level: PREMIUM
• Empirical Formula (Hill Notation): C16H15N5 · 2C3H6O3

DETAILS

Sigma Aldrich - D9564

Frequently Asked Questions
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Biochem/physiol Actions
A high sensitivity dye used to detect single nucleic acid molecules. DAPI has been shown to detect a single DNA molecule in solution, and to detect femtograms of DNA in single cells and chloroplasts.