| CAS Number | 26210-39-9 |
| Catalog Number | AG002S9N(AGN-PC-0KK0DQ) |
| Chemical Name | 1-methyl-3,4-dihydroisoquinoline Hydrochloride |
| IUPAC Name | 1-methyl-3,4-dihydroisoquinoline;hydrochloride |
| InChI | InChI=1S/C10H11N.ClH/c1-8-10-5-3-2-4-9(10)6-7-11-8;/h2-5H,6-7H2,1H3;1H |
| InChI Key | PGUZPOADJHTSNH-UHFFFAOYSA-N |
| MDL Number | MFCD00142660 |
| Molecular Formula | C10H12ClN |
| Molecular Weight | 181.6620 |
| SMILES | Cl.CC1=NCCC2=CC=CC=C12 |
| Synonyms | 1-methyl-3,4-dihydroisoquinoline Hydrochloride,
26210-39-9,
AC1MC5EW,
CTK8H8872,
1-methyl-3,4-dihydroisoquinoline, chloride,
ST50825178,
1-Methyl-3,4-dihydroisoquinoline hydrochloride, AldrichCPR,
Isoquinoline, 3,4-dihydro-1-methyl-, hydrochloride (1:1),
CID2724663,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.663g/mol |
| Monoisotopic Mass | 181.066g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number