BDP 581/591 amine

Catalog Number

ACM2183472979-1

CAS

2183472-97-9

IUPAC Name

N-(6-aminohexyl)-3-[2,2-difluoro-12-[(1Z,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]propanamide;hydrochloride

Molecular Weight

526.9

Molecular Formula

C28H34BClF2N4O

Canonical SMILES

[B-]1(N2C(=CC=C2CCC(=O)NCCCCCCN)C=C3[N+]1=C(C=C3)C=CC=CC4=CC=CC=C4)(F)F.Cl

InChI

InChI=1S/C28H33BF2N4O.ClH/c30-29(31)34-24(13-7-6-12-23-10-4-3-5-11-23)14-16-26(34)22-27-17-15-25(35(27)29)18-19-28(36)33-21-9-2-1-8-20-32;/h3-7,10-17,22H,1-2,8-9,18-21,32H2,(H,33,36);1H/b12-6+,13-7-;

InChI Key

WRSSTWIVIHVQBR-QRTMUFPGSA-N

Purity

95%

Storage

-20 °C in the dark

Excitation Maximum

585

• Catalog Number: ACM2183472979-1
• CAS: 2183472-97-9
• IUPAC Name: N-(6-aminohexyl)-3-[2,2-difluoro-12-[(1Z,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]propanamide;hydrochloride
• Molecular Weight: 526.9
• Molecular Formula: C28H34BClF2N4O
• Canonical SMILES: [B-]1(N2C(=CC=C2CCC(=O)NCCCCCCN)C=C3[N+]1=C(C=C3)C=CC=CC4=CC=CC=C4)(F)F.Cl
• InChI: InChI=1S/C28H33BF2N4O.ClH/c30-29(31)34-24(13-7-6-12-23-10-4-3-5-11-23)14-16-26(34)22-27-17-15-25(35(27)29)18-19-28(36)33-21-9-2-1-8-20-32;/h3-7,10-17,22H,1-2,8-9,18-21,32H2,(H,33,36);1H/b12-6+,13-7-
• InChI Key: WRSSTWIVIHVQBR-QRTMUFPGSA-N
• Purity: 95%
• Storage: -20 °C in the dark
• Excitation Maximum: 585