5,6,7,8-Tetrahydroisoquinolin-5-one Hydrochloride - CAS 103441-65-2
Catalog: |
BB001128 |
Product Name: |
5,6,7,8-Tetrahydroisoquinolin-5-one Hydrochloride |
CAS: |
103441-65-2 |
Synonyms: |
7,8-dihydro-6H-isoquinolin-5-one;hydrochloride; 7,8-dihydro-6H-isoquinolin-5-one;hydrochloride |
IUPAC Name: | 7,8-dihydro-6H-isoquinolin-5-one;hydrochloride |
Description: | 5,6,7,8-Tetrahydroisoquinolin-5-one Hydrochloride (CAS# 103441-65-2) is a useful research chemical. |
Molecular Weight: | 183.63 |
Molecular Formula: | C9H10ClNO |
Canonical SMILES: | C1CC2=C(C=CN=C2)C(=O)C1.Cl |
InChI: | InChI=1S/C9H9NO.ClH/c11-9-3-1-2-7-6-10-5-4-8(7)9;/h4-6H,1-3H2;1H |
InChI Key: | XIFLOZYAKQKYHN-UHFFFAOYSA-N |
LogP: | 2.40260 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2118102-A1 | Tricyclic indoles and (4,5-dihydro) indoles | 20061128 |
EP-2118102-B1 | Tricyclic indoles and (4,5-dihydro) indoles | 20061128 |
JP-2010527324-A | Tricyclic indole and (4,5-dihydro) indole | 20061128 |
JP-5284973-B2 | Tricyclic indole and (4,5-dihydro) indole | 20061128 |
US-2010075998-A1 | Tricyclic indoles and (4,5-dihydro) indoles | 20061128 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.0450916 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.0450916 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 30 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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