DiOC5(3)

Catalog Number

ACM53213813-1

CAS

53213-81-3

Structure

Synonyms

3,3-Dipentyloxacarbocyanine iodide

IUPAC Name

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

Molecular Weight

544.47

Molecular Formula

C27H33IN2O2

Canonical SMILES

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

InChI

InChI=1S/C27H33N2O2.HI/c1-3-5-11-20-28-22-14-7-9-16-24(22)30-26(28)18-13-19-27-29(21-12-6-4-2)23-15-8-10-17-25(23)31-27;/h7-10,13-19H,3-6,11-12,20-21H2,1-2H3;1H/q+1;/p-1

InChI Key

CDLMLYASVIQVPH-UHFFFAOYSA-M

Melting Point

214 - 215 °C

Purity

0.95

Appearance

Orange solid

Emission Maximum

504 nm

Excitation Maximum

482 nm

Packaging

1 mg/5 mg

• Catalog Number: ACM53213813-1
• CAS: 53213-81-3
• Synonyms: 3,3-Dipentyloxacarbocyanine iodide
• IUPAC Name: (2Z)-3-pentyl-2-[(E)-3-(3-pentyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole;iodide
• Molecular Weight: 544.47
• Molecular Formula: C27H33IN2O2
• Canonical SMILES: CCCCCN\1C2=CC=CC=C2O/C1=C\C=C\C3=[N+](C4=CC=CC=C4O3)CCCCC.[I-]
• InChI: InChI=1S/C27H33N2O2.HI/c1-3-5-11-20-28-22-14-7-9-16-24(22)30-26(28)18-13-19-27-29(21-12-6-4-2)23-15-8-10-17-25(23)31-27;/h7-10,13-19H,3-6,11-12,20-21H2,1-2H3;1H/q+1;/p-1
• InChI Key: CDLMLYASVIQVPH-UHFFFAOYSA-M
• Melting Point: 214 - 215 °C
• Purity: 0.95
• Appearance: Orange solid
• Emission Maximum: 504 nm
• Excitation Maximum: 482 nm
• Packaging: 1 mg/5 mg