1-Acetyl-1,2,3,4-tetrahydroquinoline-6-carbonitrile - CAS 851202-94-3
Catalog: |
BB037497 |
Product Name: |
1-Acetyl-1,2,3,4-tetrahydroquinoline-6-carbonitrile |
CAS: |
851202-94-3 |
Synonyms: |
1-acetyl-3,4-dihydro-2H-quinoline-6-carbonitrile; 1-acetyl-3,4-dihydro-2H-quinoline-6-carbonitrile |
IUPAC Name: | 1-acetyl-3,4-dihydro-2H-quinoline-6-carbonitrile |
Description: | 1-Acetyl-1,2,3,4-tetrahydroquinoline-6-carbonitrile (CAS# 851202-94-3) is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 200.24 |
Molecular Formula: | C12H12N2O |
Canonical SMILES: | CC(=O)N1CCCC2=C1C=CC(=C2)C#N |
InChI: | InChI=1S/C12H12N2O/c1-9(15)14-6-2-3-11-7-10(8-13)4-5-12(11)14/h4-5,7H,2-3,6H2,1H3 |
InChI Key: | OUSBYSBWTAUELS-UHFFFAOYSA-N |
LogP: | 1.92238 |
Publication Number | Title | Priority Date |
WO-2015040424-A1 | Tetrahydroisoquinoline compounds and their use as pyruvate dehydrogenase kinase inhibitors | 20130923 |
US-8952049-B2 | Modulators of ATP-binding cassette transporters | 20060407 |
AU-2004283019-A1 | N-thiazol-2-yl-benzamide derivatives | 20031027 |
CA-2542816-A1 | N-thiazol-2-yl-benzamide derivatives | 20031027 |
DE-602004004925-T2 | N-thiazol-2-YL-BENZAMIDE DERIVATIVES | 20031027 |
Complexity: | 304 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.094963011 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.094963011 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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