BDP TMR amine

Catalog Number

ACM2183473096-1

CAS

2183473-09-6

IUPAC Name

N-(6-aminohexyl)-3-[2,2-difluoro-12-(4-methoxyphenyl)-4,6-dimethyl-1,3-diaza-2-boranuidatricyclo[7.3.0.03,7]dodeca-4,6,8,10-tetraen-5-yl]propanamide;hydrochloride

Molecular Weight

532.9

Molecular Formula

C27H36BClF2N4O2

Canonical SMILES

[B-]1(N2C(C=CC2=CC3=C(C(=C(N31)C)CCC(=O)NCCCCCCN)C)C4=CC=C(C=C4)OC)(F)F.Cl

InChI

InChI=1S/C27H36BF2N4O2.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;/h8-12,14,18,25H,4-7,13,15-17,31H2,1-3H3,(H,32,35);1H/q-1;

InChI Key

XYLVPDZLJUXIBB-UHFFFAOYSA-N

Purity

95%

Storage

-20 °C in the dark

Excitation Maximum

545

• Catalog Number: ACM2183473096-1
• CAS: 2183473-09-6
• IUPAC Name: N-(6-aminohexyl)-3-[2,2-difluoro-12-(4-methoxyphenyl)-4,6-dimethyl-1,3-diaza-2-boranuidatricyclo[7.3.0.03,7]dodeca-4,6,8,10-tetraen-5-yl]propanamide;hydrochloride
• Molecular Weight: 532.9
• Molecular Formula: C27H36BClF2N4O2
• Canonical SMILES: [B-]1(N2C(C=CC2=CC3=C(C(=C(N31)C)CCC(=O)NCCCCCCN)C)C4=CC=C(C=C4)OC)(F)F.Cl
• InChI: InChI=1S/C27H36BF2N4O2.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;/h8-12,14,18,25H,4-7,13,15-17,31H2,1-3H3,(H,32,35);1H/q-1
• InChI Key: XYLVPDZLJUXIBB-UHFFFAOYSA-N
• Purity: 95%
• Storage: -20 °C in the dark
• Excitation Maximum: 545