1,2,3,4-Tetrahydro-1,2-dimethyl-4,6-isoquinolinediol - CAS 102830-16-0
Catalog: |
BB057584 |
Product Name: |
1,2,3,4-Tetrahydro-1,2-dimethyl-4,6-isoquinolinediol |
CAS: |
102830-16-0 |
Synonyms: |
1,2-Dimethyl-3,4-dihydro-1H-isoquinoline-4,6-diol; 1,2-Dimethyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol; 1,2,3,4-Tetrahydro-1,2-dimethyl-4,6-isoquinolinediol |
IUPAC Name: | 1,2-dimethyl-3,4-dihydro-1H-isoquinoline-4,6-diol |
Description: | 1,2,3,4-Tetrahydro-1,2-dimethyl-4,6-isoquinolinediol, is a Tetrahydroisoquinoline (T293820) derivative, that can be used for the synthesis of pharmaceutical drugs, containing tetrahydroisoquinoline skeleton. |
Molecular Weight: | 193.24 |
Molecular Formula: | C11H15NO2 |
Canonical SMILES: | CC1C2=C(C=C(C=C2)O)C(CN1C)O |
InChI: | InChI=1S/C11H15NO2/c1-7-9-4-3-8(13)5-10(9)11(14)6-12(7)2/h3-5,7,11,13-14H,6H2,1-2H3 |
InChI Key: | OHUJPMVFBVUHAT-UHFFFAOYSA-N |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.110278721 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 43.7Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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