BRN 3004169

2-[(3-amino-2,4,6-triiodophenyl)methyl-(carboxymethyl)amino]acetic acid

CAS: 19014-76-7

Molecular Formula	`C11H11I3N2O4`
Molecular Weight	615.93 g/mol
LogP	-0.1
Topological Polar Surface Area	104.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	615.7853
Heavy Atoms	20
Complexity	356.0

Chemical Identifiers

CAS Number	19014-76-7
SMILES	`C1=C(C(=C(C(=C1I)N)I)CN(CC(=O)O)CC(=O)O)I`
InChIKey	`XTFIUEKLKYKPDV-UHFFFAOYSA-N`

📖 Product Overview

BRN 3004169 (CAS: 19014-76-7) is a chemical compound with molecular formula C11H11I3N2O4 and molecular weight 615.93 g/mol. Its IUPAC systematic name is 2-[(3-amino-2,4,6-triiodophenyl)methyl-(carboxymethyl)amino]acetic acid. LogP -0.1 Topological Polar Surface Area 104.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 6 Rotatable Bonds 6 Exact Mass 615.7853 Heavy Atoms 20 Complexity 356.0 InChI Key: XTFIUEKLKYKPDV-UHFFFAOYSA-N. SMILES: C1=C(C(=C(C(=C1I)N)I)CN(CC(=O)O)CC(=O)O)I.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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