| CAS Number | 133153-69-2 |
| Catalog Number | AG01ACYG(AGN-PC-0PJWJS) |
| Chemical Name | methyl 3-amino-3-(naphthalen-2-yl)propanoate hydrochloride |
| IUPAC Name | methyl 3-amino-3-naphthalen-2-ylpropanoate;hydrochloride |
| InChI | InChI=1S/C14H15NO2.ClH/c1-17-14(16)9-13(15)12-7-6-10-4-2-3-5-11(10)8-12;/h2-8,13H,9,15H2,1H3;1H |
| InChI Key | AGWISLUXYMAHCL-UHFFFAOYSA-N |
| MDL Number | MFCD26936182 |
| Molecular Formula | C14H16ClNO2 |
| Molecular Weight | 265.7353 |
| SMILES | Cl.COC(CC(C1=CC2=C(C=CC=C2)C=C1)N)=O |
| Synonyms | methyl 3-amino-3-(naphthalen-2-yl)propanoate hydrochloride,
133153-69-2,
SCHEMBL6778876,
AGWISLUXYMAHCL-UHFFFAOYSA-N,
methyl beta-aminonaphthalene-2-propanoate hydrochloride,
beta-(2-naphthyl)-beta-alanine methyl ester, hydrochloride,
methyl (3S)-3-amino-3-(naphthalen-2-yl)propanoate hydrochloride,
1245606-68-1,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number