| CAS Number | 88790-90-3 |
| Catalog Number | AG004CYH(AGN-PC-042YIF) |
| Chemical Name | methyl 3-aminonaphthalene-1-carboxylate |
| IUPAC Name | methyl 3-aminonaphthalene-1-carboxylate |
| InChI | InChI=1S/C12H11NO2/c1-15-12(14)11-7-9(13)6-8-4-2-3-5-10(8)11/h2-7H,13H2,1H3 |
| InChI Key | SXKPYDRBFCWMNT-UHFFFAOYSA-N |
| MDL Number | MFCD11044995 |
| Molecular Formula | C12H11NO2 |
| Molecular Weight | 201.2212 |
| SMILES | COC(C1=C2C(C=CC=C2)=CC(N)=C1)=O |
| Synonyms | 88790-90-3,
METHYL 3-AMINO-1-NAPHTHOATE,
1-Naphthalenecarboxylic acid, 3-amino-, methyl ester,
ACMC-20le2r,
SCHEMBL2152502,
CTK3A6103,
DTXSID10633929,
SXKPYDRBFCWMNT-UHFFFAOYSA-N,
ZINC96524027,
AKOS030530325,
Methyl 2-aminonaphthalene-4-carboxylate,
Methyl 3-aminonaphthalene-1-carboxylate,
DA-01765,
FT-0763150,
3-amino-naphthalene-1-carboxylic acid methyl ester,
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| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.225g/mol |
| Monoisotopic Mass | 201.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number