| CAS Number | 53527-07-4 |
| Catalog Number | AG00E3IN(AGN-PC-0JNMLG) |
| Chemical Name | beta-(4-Hydroxyphenyl)ethyl iodoacetamide |
| IUPAC Name | N-[2-(4-hydroxyphenyl)ethyl]-2-iodoacetamide |
| InChI | InChI=1S/C10H12INO2/c11-7-10(14)12-6-5-8-1-3-9(13)4-2-8/h1-4,13H,5-7H2,(H,12,14) |
| InChI Key | KROHFNRTQBLLOZ-UHFFFAOYSA-N |
| MDL Number | MFCD01863151 |
| Molecular Formula | C10H12INO2 |
| Molecular Weight | 305.1122 |
| SMILES | OC(C=C1)=CC=C1CCNC(CI)=O |
| Synonyms | N-iodoacetyltyramine,
53527-07-4,
N-(4-Hydroxyphenethyl)-2-iodoacetamide,
Beta-(4-hydroxyphenyl)ethyl iodoacetamide,
N-Iodoacetyltyramine,
n-[2-(4-hydroxyphenyl)ethyl]-2-iodoacetamide,
AC1Q4PPR,
AC1L4X8E,
SCHEMBL8028382,
ZINC2386967,
MFCD01863151,
AKOS027439569,
N-[2-(4-Hydroxyphenyl)ethyl]iodoacetamide,
J3.564.743K,
Acetamide, N-(2-(4-hydroxyphenyl)ethyl)-2-iodo-,
ACETAMIDE,N-(2-(4-HYDROXYPHENYL)ETHYL)-2-IODO-,
AR-1K3617,
CID193901,
1973-78-0,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.115g/mol |
| Monoisotopic Mass | 304.991g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number