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17680-55-6 | Isoquinoline, 7-bromo-1,2,3,4-tetrahydro-
CAS No: 17680-55-6 Catalog No: AG0024XY MDL No:MFCD06739047
Product Description
Catalog Number:
AG0024XY
Chemical Name:
Isoquinoline, 7-bromo-1,2,3,4-tetrahydro-
CAS Number:
17680-55-6
Molecular Formula:
C9H10BrN
Molecular Weight:
212.0864
MDL Number:
MFCD06739047
IUPAC Name:
7-bromo-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C9H10BrN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2
InChI Key:
OYODEQFZAJVROF-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)CNCC2
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.09g/mol
Monoisotopic Mass:
211g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Synthesis of 4,5,6,7-tetrahydrothieno[3,2-c]pyridines and comparison with their isosteric 1,2,3,4-tetrahydroisoquinolines as inhibitors of phenylethanolamine N-methyltransferase. | Bioorganic & medicinal chemistry 20080101 |
| Exploring the active site of phenylethanolamine N-methyltransferase with 1,2,3,4-tetrahydrobenz[h]isoquinoline inhibitors. | Bioorganic & medicinal chemistry 20070201 |
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