| CAS Number | 5959-54-6 |
| Catalog Number | AG01BFZA(AGN-PC-002472) |
| Chemical Name | ethyl 3-aminonaphthalene-2-carboxylate |
| IUPAC Name | ethyl 3-aminonaphthalene-2-carboxylate |
| InChI | InChI=1S/C13H13NO2/c1-2-16-13(15)11-7-9-5-3-4-6-10(9)8-12(11)14/h3-8H,2,14H2,1H3 |
| InChI Key | OPZJRRFHEFBPCY-UHFFFAOYSA-N |
| MDL Number | MFCD00227639 |
| Molecular Formula | C13H13NO2 |
| Molecular Weight | 215.2478 |
| SMILES | CCOC(C1=C(N)C=C2C(C=CC=C2)=C1)=O |
| UNII | 639I48N133 |
| Synonyms | Ethyl 3-amino-2-naphthoate,
5959-54-6,
ethyl 3-aminonaphthalene-2-carboxylate,
UNII-639I48N133,
2-Naphthalenecarboxylic acid, 3-amino-, ethyl ester,
639I48N133,
2-Naphthoic acid, 3-amino-, ethyl ester,
3-Amino-2-naphthoic acid ethyl ester [MI],
ethyl-3-amino-2-naphthoate,
SCHEMBL5256542,
CTK1E7021,
DTXSID40208260,
ZINC20362701,
AKOS009115004,
Ethyl 2-aminonaphthalene-3-carboxylate,
NE31429,
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| 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 | 3.8 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302
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Packing Group
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Precautionary statements
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P301+P312+P330
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UN Code
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Certificate of Analysis
Lot Number