BDP 630/650 amine

Catalog Number

ACM2183473007-1

CAS

2183473-00-7

IUPAC Name

N-(6-aminohexyl)-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]acetamide;hydrochloride

Molecular Weight

584.9

Molecular Formula

C29H32BClF2N4O2S

Canonical SMILES

[B-]1(N2C(=CC=C2C=CC3=CC=C(C=C3)OCC(=O)NCCCCCCN)C=C4[N+]1=C(C=C4)C5=S=CC=C5)(F)F.Cl

InChI

InChI=1S/C29H31BF2N4O2S.ClH/c31-30(32)35-23(11-12-24(35)20-25-13-16-27(36(25)30)28-6-5-19-39-28)10-7-22-8-14-26(15-9-22)38-21-29(37)34-18-4-2-1-3-17-33;/h5-16,19-20H,1-4,17-18,21,33H2,(H,34,37);1H/b10-7+;

InChI Key

DTXGFXJOYRBDIB-HCUGZAAXSA-N

Purity

97%

Storage

-20 °C in the dark

Excitation Maximum

628

• Catalog Number: ACM2183473007-1
• CAS: 2183473-00-7
• IUPAC Name: N-(6-aminohexyl)-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]acetamide;hydrochloride
• Molecular Weight: 584.9
• Molecular Formula: C29H32BClF2N4O2S
• Canonical SMILES: [B-]1(N2C(=CC=C2C=CC3=CC=C(C=C3)OCC(=O)NCCCCCCN)C=C4[N+]1=C(C=C4)C5=S=CC=C5)(F)F.Cl
• InChI: InChI=1S/C29H31BF2N4O2S.ClH/c31-30(32)35-23(11-12-24(35)20-25-13-16-27(36(25)30)28-6-5-19-39-28)10-7-22-8-14-26(15-9-22)38-21-29(37)34-18-4-2-1-3-17-33;/h5-16,19-20H,1-4,17-18,21,33H2,(H,34,37);1H/b10-7+
• InChI Key: DTXGFXJOYRBDIB-HCUGZAAXSA-N
• Purity: 97%
• Storage: -20 °C in the dark
• Excitation Maximum: 628