DiOC6(3)

Catalog Number

ACM53213824-2

CAS

53213-82-4

Structure

Synonyms

3,3'-Dihexyloxacarbocyaninelodide

IUPAC Name

(2Z)-3-hexyl-2-[(E)-3-(3-hexyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole;iodide

Molecular Weight

572.52

Molecular Formula

C29H37IN2O2

Canonical SMILES

CCCCCCN\1C2=CC=CC=C2O/C1=C\C=C\C3=[N+](C4=CC=CC=C4O3)CCCCCC.[I-]

InChI

InChI=1S/C29H37N2O2.HI/c1-3-5-7-13-22-30-24-16-9-11-18-26(24)32-28(30)20-15-21-29-31(23-14-8-6-4-2)25-17-10-12-19-27(25)33-29;/h9-12,15-21H,3-8,13-14,22-23H2,1-2H3;1H/q+1;/p-1

InChI Key

XVLXYDXJEKLXHN-UHFFFAOYSA-M

Melting Point

219 - 221 °C

Purity

95%+

Density

1.2837 g/ml

Appearance

Red powder

Emission Maximum

501 nm

Excitation Maximum

481 nm

Packaging

10/50 mg

• Catalog Number: ACM53213824-2
• CAS: 53213-82-4
• Synonyms: 3,3'-Dihexyloxacarbocyaninelodide
• IUPAC Name: (2Z)-3-hexyl-2-[(E)-3-(3-hexyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole;iodide
• Molecular Weight: 572.52
• Molecular Formula: C29H37IN2O2
• Canonical SMILES: CCCCCCN\1C2=CC=CC=C2O/C1=C\C=C\C3=[N+](C4=CC=CC=C4O3)CCCCCC.[I-]
• InChI: InChI=1S/C29H37N2O2.HI/c1-3-5-7-13-22-30-24-16-9-11-18-26(24)32-28(30)20-15-21-29-31(23-14-8-6-4-2)25-17-10-12-19-27(25)33-29;/h9-12,15-21H,3-8,13-14,22-23H2,1-2H3;1H/q+1;/p-1
• InChI Key: XVLXYDXJEKLXHN-UHFFFAOYSA-M
• Melting Point: 219 - 221 °C
• Purity: 95%+
• Density: 1.2837 g/ml
• Appearance: Red powder
• Emission Maximum: 501 nm
• Excitation Maximum: 481 nm
• Packaging: 10/50 mg