| CAS Number | 1245606-67-0 |
| Catalog Number | AG01BBAK |
| Chemical Name | methyl (3S)-3-amino-3-(naphthalen-1-yl)propanoate hydrochloride |
| IUPAC Name | methyl (3S)-3-amino-3-naphthalen-1-ylpropanoate;hydrochloride |
| InChI | InChI=1S/C14H15NO2.ClH/c1-17-14(16)9-13(15)12-8-4-6-10-5-2-3-7-11(10)12;/h2-8,13H,9,15H2,1H3;1H/t13-;/m0./s1 |
| InChI Key | ZNGAZRIEWXNCBQ-ZOWNYOTGSA-N |
| MDL Number | MFCD08059075 |
| Molecular Formula | C14H16ClNO2 |
| Molecular Weight | 265.7353 |
| SMILES | Cl.COC(C[C@@H](C1=C2C(C=CC=C2)=CC=C1)N)=O |
| Synonyms | methyl (3S)-3-amino-3-(naphthalen-1-yl)propanoate hydrochloride,
1245606-67-0,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.737g/mol |
| Monoisotopic Mass | 265.087g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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