| CAS Number | 1384431-50-8 |
| Catalog Number | AG019ZKV |
| Chemical Name | methyl 4-[(4-aminonaphthalen-1-yl)oxy]butanoate |
| IUPAC Name | methyl 4-(4-aminonaphthalen-1-yl)oxybutanoate |
| InChI | InChI=1S/C15H17NO3/c1-18-15(17)7-4-10-19-14-9-8-13(16)11-5-2-3-6-12(11)14/h2-3,5-6,8-9H,4,7,10,16H2,1H3 |
| InChI Key | KVCRWKZGUXWJMB-UHFFFAOYSA-N |
| MDL Number | MFCD18608096 |
| Molecular Formula | C15H17NO3 |
| Molecular Weight | 259.3004 |
| SMILES | COC(CCCOC1=C2C(C=CC=C2)=C(N)C=C1)=O |
| Synonyms | methyl 4-[(4-aminonaphthalen-1-yl)oxy]butanoate,
1384431-50-8,
ZINC75496533,
AKOS013001886,
MCULE-8212613345,
NE51825,
Z1407007424,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.305g/mol |
| Monoisotopic Mass | 259.121g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number