TAMRAamine,5-isomer

Catalog Number

ACM2158336480-1

CAS

2158336-48-0

IUPAC Name

5-(6-aminohexylcarbamoyl)-2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate;hydrochloride

Molecular Weight

565.1

Molecular Formula

C31H37ClN4O4

Canonical SMILES

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=C(C=C4)C(=O)NCCCCCCN)C(=O)[O-].Cl

InChI

InChI=1S/C31H36N4O4.ClH/c1-34(2)21-10-13-24-27(18-21)39-28-19-22(35(3)4)11-14-25(28)29(24)23-12-9-20(17-26(23)31(37)38)30(36)33-16-8-6-5-7-15-32;/h9-14,17-19H,5-8,15-16,32H2,1-4H3,(H-,33,36,37,38);1H

InChI Key

VPOLLACBGNYGIN-UHFFFAOYSA-N

Purity

0.95

Storage

-20 °C in the dark

• Catalog Number: ACM2158336480-1
• CAS: 2158336-48-0
• IUPAC Name: 5-(6-aminohexylcarbamoyl)-2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate;hydrochloride
• Molecular Weight: 565.1
• Molecular Formula: C31H37ClN4O4
• Canonical SMILES: CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=C(C=C4)C(=O)NCCCCCCN)C(=O)[O-].Cl
• InChI: InChI=1S/C31H36N4O4.ClH/c1-34(2)21-10-13-24-27(18-21)39-28-19-22(35(3)4)11-14-25(28)29(24)23-12-9-20(17-26(23)31(37)38)30(36)33-16-8-6-5-7-15-32;/h9-14,17-19H,5-8,15-16,32H2,1-4H3,(H-,33,36,37,38);1H
• InChI Key: VPOLLACBGNYGIN-UHFFFAOYSA-N
• Purity: 0.95
• Storage: -20 °C in the dark