DiBAC4(3)

Catalog Number

ACM70363836-1

CAS

70363-83-6

Structure

Synonyms

Bis(1,3-dibutylbarbituricacid)trimethineoxonol

IUPAC Name

1,3-dibutyl-5-[4-[(E,3Z)-3-[3-(1,3-dibutyl-2,4,6-trioxo-1,3-diazinan-5-yl)-5-oxo-1,2-oxazol-4-ylidene]prop-1-enyl]-5-oxo-2H-1,2-oxazol-3-yl]-1,3-diazinane-2,4,6-trione

Molecular Weight

515.62

Molecular Formula

C27H39N4O6

Canonical SMILES

CCCCN1C(=O)C(C(=O)N(C1=O)CCCC)C2=C(C(=O)ON2)/C=C/C=C\3/C(=NOC3=O)C4C(=O)N(C(=O)N(C4=O)CCCC)CCCC

InChI

InChI=1S/C33H42N6O10/c1-5-9-16-36-26(40)22(27(41)37(32(36)46)17-10-6-2)24-20(30(44)48-34-24)14-13-15-21-25(35-49-31(21)45)23-28(42)38(18-11-7-3)33(47)39(29(23)43)19-12-8-4/h13-15,22-23,34H,5-12,16-19H2,1-4H3/b14-13+,21-15-

InChI Key

LOIXQLQVWJDLBX-TWGYAANKSA-N

Boiling Point

614.3 ± 65.0 °C

Melting Point

> 200 °C

Purity

98%+

Density

1.201 ± 0.06 g/ml

Appearance

Red solid

Storage

2 - 8 °C

Emission Maximum

505 nm

Excitation Maximum

490 nm

• Catalog Number: ACM70363836-1
• CAS: 70363-83-6
• Synonyms: Bis(1,3-dibutylbarbituricacid)trimethineoxonol
• IUPAC Name: 1,3-dibutyl-5-[4-[(E,3Z)-3-[3-(1,3-dibutyl-2,4,6-trioxo-1,3-diazinan-5-yl)-5-oxo-1,2-oxazol-4-ylidene]prop-1-enyl]-5-oxo-2H-1,2-oxazol-3-yl]-1,3-diazinane-2,4,6-trione
• Molecular Weight: 515.62
• Molecular Formula: C27H39N4O6
• Canonical SMILES: CCCCN1C(=O)C(C(=O)N(C1=O)CCCC)C2=C(C(=O)ON2)/C=C/C=C\3/C(=NOC3=O)C4C(=O)N(C(=O)N(C4=O)CCCC)CCCC
• InChI: InChI=1S/C33H42N6O10/c1-5-9-16-36-26(40)22(27(41)37(32(36)46)17-10-6-2)24-20(30(44)48-34-24)14-13-15-21-25(35-49-31(21)45)23-28(42)38(18-11-7-3)33(47)39(29(23)43)19-12-8-4/h13-15,22-23,34H,5-12,16-19H2,1-4H3/b14-13+,21-15-
• InChI Key: LOIXQLQVWJDLBX-TWGYAANKSA-N
• Boiling Point: 614.3 ± 65.0 °C
• Melting Point: > 200 °C
• Purity: 98%+
• Density: 1.201 ± 0.06 g/ml
• Appearance: Red solid
• Storage: 2 - 8 °C
• Emission Maximum: 505 nm
• Excitation Maximum: 490 nm