Ethyl 3-amino-3-(4-iodophenyl)propanoate hydrochloride - CAS 502842-21-9
Catalog: |
BB065913 |
Product Name: |
Ethyl 3-amino-3-(4-iodophenyl)propanoate hydrochloride |
CAS: |
502842-21-9 |
Synonyms: |
Ethyl 3-amino-3-(4-iodophenyl)propanoate, HCl; ETHYL 3-AMINO-3-(4-IODOPHENYL)PROPANOATE HYDROCHLORIDE; ethyl 3-amino-3-(4-iodophenyl)propanoate; hydrochloride |
IUPAC Name: | ethyl 3-amino-3-(4-iodophenyl)propanoatehydrochloride |
Description: | Ethyl 3-amino-3-(4-iodophenyl)propanoate, HCl |
Molecular Weight: | 355.6 |
Molecular Formula: | C11H15ClINO2 |
Canonical SMILES: | CCOC(=O)CC(C1=CC=C(C=C1)I)N.Cl |
InChI: | InChI=1S/C11H14INO2.ClH/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8/h3-6,10H,2,7,13H2,1H31H |
InChI Key: | ULJFHQAOTLUVBZ-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 354.9836 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 354.9836 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 52.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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