BDP 630/650 alkyne

Catalog Number

ACM2006345384-1

CAS

2006345-38-4

IUPAC Name

2-[4-[(E)-2-(2,2-difluoro-12-thiophen-2-yl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl)ethenyl]phenoxy]-N-prop-2-ynylacetamide

Molecular Weight

487.3

Molecular Formula

C26H20BF2N3O2S

Canonical SMILES

[B-]1(N2C(=CC=C2C=CC3=CC=C(C=C3)OCC(=O)NCC#C)C=C4[N+]1=C(C=C4)C5=CC=CS5)(F)F

InChI

InChI=1S/C26H20BF2N3O2S/c1-2-15-30-26(33)18-34-23-12-6-19(7-13-23)5-8-20-9-10-21-17-22-11-14-24(25-4-3-16-35-25)32(22)27(28,29)31(20)21/h1,3-14,16-17H,15,18H2,(H,30,33)/b8-5+

InChI Key

DQTUTMHFRQVZSG-VMPITWQZSA-N

Purity

95%

Appearance

Dark colored solid

Storage

-20 °C in the dark

Excitation Maximum

628

• Catalog Number: ACM2006345384-1
• CAS: 2006345-38-4
• IUPAC Name: 2-[4-[(E)-2-(2,2-difluoro-12-thiophen-2-yl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl)ethenyl]phenoxy]-N-prop-2-ynylacetamide
• Molecular Weight: 487.3
• Molecular Formula: C26H20BF2N3O2S
• Canonical SMILES: [B-]1(N2C(=CC=C2C=CC3=CC=C(C=C3)OCC(=O)NCC#C)C=C4[N+]1=C(C=C4)C5=CC=CS5)(F)F
• InChI: InChI=1S/C26H20BF2N3O2S/c1-2-15-30-26(33)18-34-23-12-6-19(7-13-23)5-8-20-9-10-21-17-22-11-14-24(25-4-3-16-35-25)32(22)27(28,29)31(20)21/h1,3-14,16-17H,15,18H2,(H,30,33)/b8-5+
• InChI Key: DQTUTMHFRQVZSG-VMPITWQZSA-N
• Purity: 95%
• Appearance: Dark colored solid
• Storage: -20 °C in the dark
• Excitation Maximum: 628