| CAS Number | 842150-13-4 |
| Catalog Number | AG00GA23(AGN-PC-0OJ1FD) |
| Chemical Name | Methyl 6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylate |
| IUPAC Name | methyl 6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylate |
| InChI | InChI=1S/C11H14N2O2/c1-15-11(14)10-5-8-4-9(12)3-2-7(8)6-13-10/h2-4,10,13H,5-6,12H2,1H3 |
| InChI Key | XGLHSRWBNAKIEJ-UHFFFAOYSA-N |
| MDL Number | MFCD24602243 |
| Molecular Formula | C11H14N2O2 |
| Molecular Weight | 206.2411 |
| SMILES | NC=1C=C2CC(NCC2=CC1)C(=O)OC |
| Synonyms | 842150-13-4,
3-isoquinolinecarboxylic acid,6-amino-1,2,3,4-tetrahydro-,methyl ester,
METHYL 6-AMINO-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLATE,
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| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.245g/mol |
| Monoisotopic Mass | 206.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
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