| CAS Number | 73037-81-7 |
| Catalog Number | AG01C5U5(AGN-PC-0WCOOZ) |
| Chemical Name | 6-Chloro-4-methyl-1,2,3,4-tetrahydroisoquinoline |
| IUPAC Name | 6-chloro-4-methyl-1,2,3,4-tetrahydroisoquinoline |
| InChI | InChI=1S/C10H12ClN/c1-7-5-12-6-8-2-3-9(11)4-10(7)8/h2-4,7,12H,5-6H2,1H3 |
| InChI Key | JOJQDQBZQKZVNI-UHFFFAOYSA-N |
| MDL Number | MFCD12755840 |
| Molecular Formula | C10H12ClN |
| Molecular Weight | 181.6620 |
| SMILES | ClC=1C=C2C(CNCC2=CC1)C |
| Synonyms | 6-CHLORO-4-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE,
73037-81-7,
SCHEMBL14993946,
AKOS022640985,
AB65681,
F9994-0321,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| 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 | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number