BDP TMR amine

Catalog Number

ACM2183473085

CAS

2183473-08-5

Synonyms

1,3-dimethyl-2(6-aminohexylaminocarbonyl)-4,4-difluoro-5-(4-methoxyphenyl)borondipyrromethene

IUPAC Name

6-[3-[2,2-difluoro-12-(4-methoxyphenyl)-4,6-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-5-yl]propanoylamino]hexylazanium;chloride

Molecular Weight

532.86

Molecular Formula

C27H36BClF2N4O2

Canonical SMILES

[B-]1(N2C(=CC=C2C3=CC=C(C=C3)OC)C=C4[N+]1=C(C(=C4C)CCC(=O)NCCCCCC[NH3+])C)(F)F.[Cl-]

InChI

InChI=1S/C27H35BF2N4O2.ClH/c1-19-24(13-15-27(35)32-17-7-5-4-6-16-31)20(2)33-26(19)18-22-10-14-25(34(22)28(33,29)30)21-8-11-23(36-3)12-9-21;/h8-12,14,18H,4-7,13,15-17,31H2,1-3H3,(H,32,35);1H

InChI Key

OHIKZADQYCQXNM-UHFFFAOYSA-N

Purity

95%

Appearance

Violet solid

Storage

-20 °C in the dark

• Catalog Number: ACM2183473085
• CAS: 2183473-08-5
• Synonyms: 1,3-dimethyl-2(6-aminohexylaminocarbonyl)-4,4-difluoro-5-(4-methoxyphenyl)borondipyrromethene
• IUPAC Name: 6-[3-[2,2-difluoro-12-(4-methoxyphenyl)-4,6-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-5-yl]propanoylamino]hexylazanium;chloride
• Molecular Weight: 532.86
• Molecular Formula: C27H36BClF2N4O2
• Canonical SMILES: [B-]1(N2C(=CC=C2C3=CC=C(C=C3)OC)C=C4[N+]1=C(C(=C4C)CCC(=O)NCCCCCC[NH3+])C)(F)F.[Cl-]
• InChI: InChI=1S/C27H35BF2N4O2.ClH/c1-19-24(13-15-27(35)32-17-7-5-4-6-16-31)20(2)33-26(19)18-22-10-14-25(34(22)28(33,29)30)21-8-11-23(36-3)12-9-21;/h8-12,14,18H,4-7,13,15-17,31H2,1-3H3,(H,32,35);1H
• InChI Key: OHIKZADQYCQXNM-UHFFFAOYSA-N
• Purity: 95%
• Appearance: Violet solid
• Storage: -20 °C in the dark