| CAS Number | 275826-31-8 |
| Catalog Number | AG01A6NL(AGN-PC-0R3BRJ) |
| Chemical Name | Ethyl 3-amino-3-(3-bromophenyl)propanoate |
| IUPAC Name | ethyl 3-amino-3-(3-bromophenyl)propanoate |
| InChI | InChI=1S/C11H14BrNO2/c1-2-15-11(14)7-10(13)8-4-3-5-9(12)6-8/h3-6,10H,2,7,13H2,1H3 |
| InChI Key | RRMGYEHLTFAKGC-UHFFFAOYSA-N |
| MDL Number | MFCD05861426 |
| Molecular Formula | C11H14BrNO2 |
| Molecular Weight | 272.1384 |
| SMILES | CCOC(CC(C1=CC(Br)=CC=C1)N)=O |
| Synonyms | ethyl 3-amino-3-(3-bromophenyl)propanoate,
275826-31-8,
Oprea1_327138,
SCHEMBL20545317,
STK138221,
AKOS005142340,
NE24410,
SC-68570,
3-AMINO-3-(3-BROMO-PHENYL)-PROPIONIC ACID ETHYL ES,
AC1NP2EM,
CID5148374,
3-AMINO-3-(3-BROMO-PHENYL)-PROPIONIC ACID ETHYL ESTER,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.02079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.14g/mol |
| Monoisotopic Mass | 271.02079g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.3Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number