BDP 581/591 alkyne

Catalog Number

ACM2006345340-1

CAS

2006345-34-0

IUPAC Name

3-[2,2-difluoro-12-[(1E,3E)-4-phenylbuta-1,3-dienyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]-N-prop-2-ynylpropanamide

Molecular Weight

429.3

Molecular Formula

C25H22BF2N3O

Canonical SMILES

[B-]1(N2C(=CC=C2CCC(=O)NCC#C)C=C3[N+]1=C(C=C3)C=CC=CC4=CC=CC=C4)(F)F

InChI

InChI=1S/C25H22BF2N3O/c1-2-18-29-25(32)17-16-22-13-15-24-19-23-14-12-21(30(23)26(27,28)31(22)24)11-7-6-10-20-8-4-3-5-9-20/h1,3-15,19H,16-18H2,(H,29,32)/b10-6+,11-7+

InChI Key

OLFSHALJABVHGP-JMQWPVDRSA-N

Purity

95%

Storage

-20 °C in the dark

Excitation Maximum

585

• Catalog Number: ACM2006345340-1
• CAS: 2006345-34-0
• IUPAC Name: 3-[2,2-difluoro-12-[(1E,3E)-4-phenylbuta-1,3-dienyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]-N-prop-2-ynylpropanamide
• Molecular Weight: 429.3
• Molecular Formula: C25H22BF2N3O
• Canonical SMILES: [B-]1(N2C(=CC=C2CCC(=O)NCC#C)C=C3[N+]1=C(C=C3)C=CC=CC4=CC=CC=C4)(F)F
• InChI: InChI=1S/C25H22BF2N3O/c1-2-18-29-25(32)17-16-22-13-15-24-19-23-14-12-21(30(23)26(27,28)31(22)24)11-7-6-10-20-8-4-3-5-9-20/h1,3-15,19H,16-18H2,(H,29,32)/b10-6+,11-7+
• InChI Key: OLFSHALJABVHGP-JMQWPVDRSA-N
• Purity: 95%
• Storage: -20 °C in the dark
• Excitation Maximum: 585