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Home > Quinoline > 109220-61-3
109220-61-3 | Benz[h]isoquinoline, 1,2,3,4-tetrahydro-
CAS No: 109220-61-3 Catalog No: AG007BBF MDL No:MFCD20306704
Product Description
Catalog Number:
AG007BBF
Chemical Name:
Benz[h]isoquinoline, 1,2,3,4-tetrahydro-
CAS Number:
109220-61-3
Molecular Formula:
C13H13N
Molecular Weight:
183.2490
MDL Number:
MFCD20306704
IUPAC Name:
1,2,3,4-tetrahydrobenzo[h]isoquinoline
InChI:
InChI=1S/C13H13N/c1-2-4-12-10(3-1)5-6-11-7-8-14-9-13(11)12/h1-6,14H,7-9H2
InChI Key:
BNWUYMPBSBQTEX-UHFFFAOYSA-N
SMILES:
N1CCc2c(C1)c1ccccc1cc2
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.254g/mol
Monoisotopic Mass:
183.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| 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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