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16620-96-5 | Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-
CAS No: 16620-96-5 Catalog No: AG001WL0 MDL No:
Product Description
Catalog Number:
AG001WL0
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-
CAS Number:
16620-96-5
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
IUPAC Name:
6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3
InChI Key:
TXPPKWZEHFNZOE-UHFFFAOYSA-N
SMILES:
COc1cc2CN(C)CCc2cc1OC
NSC Number:
280726
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| A concerted mechanism for berberine bridge enzyme. | Nature chemical biology 20081201 |
| Quaternary isoquinoline alkaloids from Xylopia parviflora. | Phytochemistry 20040401 |
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