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41565-95-1 | 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CAS No: 41565-95-1 Catalog No: AG00VSCN MDL No:MFCD09886930
Product Description
Catalog Number:
AG00VSCN
Chemical Name:
7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CAS Number:
41565-95-1
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
MDL Number:
MFCD09886930
IUPAC Name:
7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C11H15NO/c1-8-11-7-10(13-2)4-3-9(11)5-6-12-8/h3-4,7-8,12H,5-6H2,1-2H3
InChI Key:
VMIDQQQAEQXCDJ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(C)NCC2
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Neuroprotective or neurotoxic activity of 1-methyl-1,2,3,4-tetrahydroisoquinoline and related compounds. | Bioorganic & medicinal chemistry letters 20030901 |
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