| CAS Number | 479591-57-6 |
| Catalog Number | AG01ACT2(AGN-PC-0RXRFE) |
| Chemical Name | Methyl 3-amino-3-(4-phenylphenyl)propanoate |
| IUPAC Name | methyl 3-amino-3-(4-phenylphenyl)propanoate |
| InChI | InChI=1S/C16H17NO2/c1-19-16(18)11-15(17)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,15H,11,17H2,1H3 |
| InChI Key | FAOYZMMSUOXJNE-UHFFFAOYSA-N |
| MDL Number | MFCD12487142 |
| Molecular Formula | C16H17NO2 |
| Molecular Weight | 255.3117 |
| SMILES | COC(CC(C1=CC=C(C2=CC=CC=C2)C=C1)N)=O |
| Synonyms | Methyl 3-amino-3-(4-phenylphenyl)propanoate,
479591-57-6,
933471-44-4,
methyl (3S)-3-amino-3-(4-phenylphenyl)propanoate,
SCHEMBL2299744,
FAOYZMMSUOXJNE-UHFFFAOYSA-N,
AKOS005893166,
MCULE-2610959710,
NE44305,
methyl 3-amino-3-(1,1'-biphenyl)-4-ylpropanoate,
methyl 3-amino-3-{[1,1'-biphenyl]-4-yl}propanoate,
Z1708090044,
CID10999647,
[1,1'-Biphenyl]-4-propanoic acid, ss-amino-, methyl ester, (ssS)-,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.317g/mol |
| Monoisotopic Mass | 255.126g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number