DiBAC4(5)

Catalog Number

ACM63560894-1

CAS

63560-89-4

Structure

Synonyms

Neurodye DiBAC4(5)

IUPAC Name

1,3-dibutyl-5-[(2E,4E)-5-(1,3-dibutyl-2,4,6-trioxo-1,3-diazinan-5-yl)penta-2,4-dienylidene]-1,3-diazinane-2,4,6-trione

Molecular Weight

542.67

Molecular Formula

C29H42N4O6

Canonical SMILES

CCCCN1C(=O)C(C(=O)N(C1=O)CCCC)/C=C/C=C/C=C2C(=O)N(C(=O)N(C2=O)CCCC)CCCC

InChI

InChI=1S/C29H42N4O6/c1-5-9-18-30-24(34)22(25(35)31(28(30)38)19-10-6-2)16-14-13-15-17-23-26(36)32(20-11-7-3)29(39)33(27(23)37)21-12-8-4/h13-17,22H,5-12,18-21H2,1-4H3/b15-13+,16-14+

InChI Key

UYFIBXZWFVQCAN-WXUKJITCSA-N

Boiling Point

642.6 ± 65.0 °C

Melting Point

> 200 °C

Purity

95%+

Density

1.19 g/ml

Emission Maximum

616 nm

Excitation Maximum

590 nm

• Catalog Number: ACM63560894-1
• CAS: 63560-89-4
• Synonyms: Neurodye DiBAC4(5)
• IUPAC Name: 1,3-dibutyl-5-[(2E,4E)-5-(1,3-dibutyl-2,4,6-trioxo-1,3-diazinan-5-yl)penta-2,4-dienylidene]-1,3-diazinane-2,4,6-trione
• Molecular Weight: 542.67
• Molecular Formula: C29H42N4O6
• Canonical SMILES: CCCCN1C(=O)C(C(=O)N(C1=O)CCCC)/C=C/C=C/C=C2C(=O)N(C(=O)N(C2=O)CCCC)CCCC
• InChI: InChI=1S/C29H42N4O6/c1-5-9-18-30-24(34)22(25(35)31(28(30)38)19-10-6-2)16-14-13-15-17-23-26(36)32(20-11-7-3)29(39)33(27(23)37)21-12-8-4/h13-17,22H,5-12,18-21H2,1-4H3/b15-13+,16-14+
• InChI Key: UYFIBXZWFVQCAN-WXUKJITCSA-N
• Boiling Point: 642.6 ± 65.0 °C
• Melting Point: > 200 °C
• Purity: 95%+
• Density: 1.19 g/ml
• Emission Maximum: 616 nm
• Excitation Maximum: 590 nm