Perhydroisoquinoline - CAS 6329-61-9
Catalog: |
BB032091 |
Product Name: |
Perhydroisoquinoline |
CAS: |
6329-61-9 |
Synonyms: |
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline |
IUPAC Name: | 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline |
Description: | Perhydroisoquinoline (CAS# 6329-61-9) is a useful research chemical. |
Molecular Weight: | 139.24 |
Molecular Formula: | C9H17N |
Canonical SMILES: | C1CCC2CNCCC2C1 |
InChI: | InChI=1S/C9H17N/c1-2-4-9-7-10-6-5-8(9)3-1/h8-10H,1-7H2 |
InChI Key: | NENLYAQPNATJSU-UHFFFAOYSA-N |
Boiling Point: | 211-214 °C |
Density: | 0.936 g/cm3 |
MDL: | MFCD00012096 |
LogP: | 2.11490 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021209765-A2 | Methods and products | 20200417 |
WO-2021212022-A1 | Aerosolized formulations of hiv protease inhibitors for the treatment of airway reflux | 20200416 |
JP-6912016-B1 | STING working compound | 20200410 |
WO-2021205631-A1 | Sting agonistic compound | 20200410 |
WO-2021206158-A1 | Method of cancer therapy | 20200410 |
PMID | Publication Date | Title | Journal |
22126365 | 20120112 | Protic ionic liquids based on decahydroisoquinoline: lost superfragility and ionicity-fragility correlation | The journal of physical chemistry. B |
22518105 | 20120101 | Physiology and pathology of calcium signaling in the brain | Frontiers in pharmacology |
22863695 | 20120101 | Essential structure of opioid κ receptor agonist nalfurafine for binding to κ receptor 1: synthesis of decahydroisoquinoline derivatives and their pharmacologies | Chemical & pharmaceutical bulletin |
21801250 | 20111201 | Sulfinylated azadecalins act as functional mimics of a pollen germination stimulant in Arabidopsis pistils | The Plant journal : for cell and molecular biology |
22213919 | 20111201 | Remodelling of the natural product fumagillol employing a reaction discovery approach | Nature chemistry |
Complexity: | 111 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 139.136099547 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 139.136099547 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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Quinoline/Isoquinoline
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