| CAS Number | 95092-84-5 |
| Catalog Number | AG01DHB7(AGN-PC-00MKZF) |
| Chemical Name | Ethyl 4-aminonaphthalene-1-carboxylate |
| IUPAC Name | ethyl 4-aminonaphthalene-1-carboxylate |
| InChI | InChI=1S/C13H13NO2/c1-2-16-13(15)11-7-8-12(14)10-6-4-3-5-9(10)11/h3-8H,2,14H2,1H3 |
| InChI Key | PNCJAXRVSPZVNF-UHFFFAOYSA-N |
| MDL Number | MFCD18414310 |
| Molecular Formula | C13H13NO2 |
| Molecular Weight | 215.2478 |
| SMILES | CCOC(C1=C2C(C=CC=C2)=C(N)C=C1)=O |
| Synonyms | Ethyl 4-amino-1-naphthoate,
ethyl 4-aminonaphthalene-1-carboxylate,
95092-84-5,
Ethyl 4-amino-1-naphoate,
SCHEMBL5946756,
CTK8E5850,
PNCJAXRVSPZVNF-UHFFFAOYSA-N,
ZINC75625056,
AKOS022651703,
Ethyl 1-aminonaphthalene-4-carboxylate,
TX-017588,
4-amino-1-naphthalene carboxylic acid ethyl ester,
N/A,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.252g/mol |
| Monoisotopic Mass | 215.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number