BRN 3006754
2-[3-[acetyl(butyl)amino]-2,4,6-triiodophenyl]acetic acid
CAS: 29193-36-0
| Molecular Formula | C14H16I3NO3 |
|---|---|
| Molecular Weight | 626.99 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 57.6 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 626.8264 |
| Heavy Atoms | 21 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 29193-36-0 |
|---|---|
| SMILES | CCCCN(C1=C(C=C(C(=C1I)CC(=O)O)I)I)C(=O)C |
| InChIKey | KVWIXFJNISBPOD-UHFFFAOYSA-N |
📖 Product Overview
BRN 3006754 (CAS: 29193-36-0) is a chemical compound with molecular formula C14H16I3NO3 and molecular weight 626.99 g/mol. Its IUPAC systematic name is 2-[3-[acetyl(butyl)amino]-2,4,6-triiodophenyl]acetic acid.
KVWIXFJNISBPOD-UHFFFAOYSA-N.
SMILES: CCCCN(C1=C(C=C(C(=C1I)CC(=O)O)I)I)C(=O)C.
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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Frequently Asked Questions
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What documentation do you provide with the product?
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