| CAS Number | 776327-61-8 |
| Catalog Number | AG01AHXH(AGN-PC-0UC1D0) |
| Chemical Name | methyl 3-amino-2-[(naphthalen-2-yl)methyl]propanoate hydrochloride |
| IUPAC Name | methyl 2-(aminomethyl)-3-naphthalen-2-ylpropanoate;hydrochloride |
| InChI | InChI=1S/C15H17NO2.ClH/c1-18-15(17)14(10-16)9-11-6-7-12-4-2-3-5-13(12)8-11;/h2-8,14H,9-10,16H2,1H3;1H |
| InChI Key | BTNJEMRYVMELFZ-UHFFFAOYSA-N |
| MDL Number | MFCD18785622 |
| Molecular Formula | C15H18ClNO2 |
| Molecular Weight | 279.7619 |
| SMILES | Cl.COC(C(CC1=CC2=C(C=CC=C2)C=C1)CN)=O |
| Synonyms | methyl 3-amino-2-(naphthalen-2-ylmethyl)propanoate hydrochloride,
776327-61-8,
AKOS025440369,
MCULE-1853868199,
NE40380,
EN300-76092,
Z1267881660,
methyl 3-amino-2-[(naphthalen-2-yl)methyl]propanoate hydrochloride,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.764g/mol |
| Monoisotopic Mass | 279.103g/mol |
| Rotatable Bond Count | 5 |
| 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