| CAS Number | 1176414-91-7 |
| Catalog Number | AG01A40W(AGN-PC-0WO27Z) |
| Chemical Name | 5-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline |
| IUPAC Name | 5-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline |
| InChI | InChI=1S/C10H12BrN/c1-7-8-3-2-4-10(11)9(8)5-6-12-7/h2-4,7,12H,5-6H2,1H3 |
| InChI Key | VPKHWEFDYAMWOS-UHFFFAOYSA-N |
| MDL Number | MFCD18306483 |
| Molecular Formula | C10H12BrN |
| Molecular Weight | 226.1130 |
| SMILES | CC1c2cccc(c2CCN1)Br |
| Synonyms | 5-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline,
1176414-91-7,
SCHEMBL1010500,
VPKHWEFDYAMWOS-UHFFFAOYSA-N,
AKOS012576254,
NE35209,
5-Bromo-1-methyl-1,2,3,4-tetrahydro-isoquinoline,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.117g/mol |
| Monoisotopic Mass | 225.015g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number