BDP 650/665 alkyne

Catalog Number

ACM2006345408-1

CAS

2006345-40-8

Synonyms

(E)-5-fluoro-7-(4-(2-oxo-2-(prop-2-yn-1-ylamino)ethoxy)styryl)-3-(1H-pyrrol-2-yl)-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-iumfluoride

IUPAC Name

2-[4-[(E)-2-[2-fluoro-12-(1H-pyrrol-2-yl)-3-aza-1-azonia-2-boratricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]-N-prop-2-ynylacetamide;fluoride

Molecular Weight

470.28

Molecular Formula

C26H21N4BF2O2

Canonical SMILES

B1(N2C(=CC=C2C=CC3=CC=C(C=C3)OCC(=O)NCC#C)C=C4[N+]1=C(C=C4)C5=CC=CN5)F.[F-]

InChI

InChI=1S/C26H20BFN4O2.FH/c1-2-15-30-26(33)18-34-23-12-6-19(7-13-23)5-8-20-9-10-21-17-22-11-14-25(24-4-3-16-29-24)32(22)27(28)31(20)21;/h1,3-14,16-17H,15,18H2,(H,30,33);1H/b8-5+;

InChI Key

SVLHJAJWKKRWIX-HAAWTFQLSA-N

Purity

95%

Appearance

Dark colored solid

Storage

-20 °C in the dark

Excitation Maximum

649

• Catalog Number: ACM2006345408-1
• CAS: 2006345-40-8
• Synonyms: (E)-5-fluoro-7-(4-(2-oxo-2-(prop-2-yn-1-ylamino)ethoxy)styryl)-3-(1H-pyrrol-2-yl)-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-iumfluoride
• IUPAC Name: 2-[4-[(E)-2-[2-fluoro-12-(1H-pyrrol-2-yl)-3-aza-1-azonia-2-boratricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]-N-prop-2-ynylacetamide;fluoride
• Molecular Weight: 470.28
• Molecular Formula: C26H21N4BF2O2
• Canonical SMILES: B1(N2C(=CC=C2C=CC3=CC=C(C=C3)OCC(=O)NCC#C)C=C4[N+]1=C(C=C4)C5=CC=CN5)F.[F-]
• InChI: InChI=1S/C26H20BFN4O2.FH/c1-2-15-30-26(33)18-34-23-12-6-19(7-13-23)5-8-20-9-10-21-17-22-11-14-25(24-4-3-16-29-24)32(22)27(28)31(20)21;/h1,3-14,16-17H,15,18H2,(H,30,33);1H/b8-5+
• InChI Key: SVLHJAJWKKRWIX-HAAWTFQLSA-N
• Purity: 95%
• Appearance: Dark colored solid
• Storage: -20 °C in the dark
• Excitation Maximum: 649