3-Amino-2,4,6-triiodobenzeneheptanoic Acid Ethyl Ester - CAS 161466-39-3
Catalog: |
BB061477 |
Product Name: |
3-Amino-2,4,6-triiodobenzeneheptanoic Acid Ethyl Ester |
CAS: |
161466-39-3 |
Synonyms: |
ethyl 7-(3-amino-2,4,6-triiodophenyl)heptanoate; 3-Amino-2,4,6-triiodobenzeneheptanoic Acid Ethyl Ester |
IUPAC Name: | ethyl 7-(3-amino-2,4,6-triiodophenyl)heptanoate |
Molecular Weight: | 627.04 |
Molecular Formula: | C15H20I3NO2 |
Canonical SMILES: | CCOC(=O)CCCCCCC1=C(C(=C(C=C1I)I)N)I |
InChI: | InChI=1S/C15H20I3NO2/c1-2-21-13(20)8-6-4-3-5-7-10-11(16)9-12(17)15(19)14(10)18/h9H,2-8,19H2,1H3 |
InChI Key: | LZRSTVREZNQBLF-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2017274101-A1 | Iodine-based particles | 20160325 |
WO-2017165841-A1 | Iodine-based particles | 20160325 |
US-10918742-B2 | Iodine-based particles | 20160325 |
US-2021069352-A1 | Iodine-based particles | 20160325 |
Complexity: | 317 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 626.8628 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 626.8628 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 52.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.6 |
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