| CAS Number | 100896-08-0 |
| Catalog Number | AG00033W(AGN-PC-0OQ4ND) |
| Chemical Name | 3-(9-Anthryl)-L-alanine |
| IUPAC Name | (2S)-2-amino-3-anthracen-9-ylpropanoic acid |
| InChI | InChI=1S/C17H15NO2/c18-16(17(19)20)10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9,16H,10,18H2,(H,19,20)/t16-/m0/s1 |
| InChI Key | MRVJUNXMEDRMRO-INIZCTEOSA-N |
| MDL Number | MFCD03788073 |
| Molecular Formula | C17H15NO2 |
| Molecular Weight | 265.3065 |
| SMILES | N[C@@H](CC1=C2C=CC=CC2=CC3=CC=CC=C13)C(O)=O |
| Synonyms | 100896-08-0,
3-(9-ANTHRYL)-L-ALANINE,
(2S)-2-AMINO-3-(9-ANTHRYL)PROPANOIC ACID,
(S)-2-Amino-3-(anthracen-9-yl)propanoic acid,
SCHEMBL887084,
CTK3J9340,
ZINC1642186,
4231AH,
AKOS027393681,
D-9-AnthrylaAlanine,
C17H15NO2,
135092-49-8,
|
| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.312g/mol |
| Monoisotopic Mass | 265.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number