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6-Hydroxy-1,2,3,4-tetrahydroquinoline - 97%, high purity , CAS No.3373-00-0
Basic Description
Synonyms
J-019304 | MFCD00800243 | DTXSID40187405 | EINECS 222-153-4 | 6-Quinolinol, 1,2,3,4-tetrahydro- | 6-Hydroxy-1,2,3,4-tetrahydro quinoline | BBL103709 | 1,2,3,4-Tetrahydro-quinoline-6-ol | 1,2,3,4-tetrahydro-quinolin-6-ol | 1,2,3,4-Tetrahydroquinolin-6-ol |
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Hydroquinolines
Intermediate Tree Nodes
Not available
Direct Parent
Hydroquinolines
Alternative Parents
Secondary alkylarylamines Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tetrahydroquinoline - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Secondary aliphatic/aromatic amine - Benzenoid - Azacycle - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hydroquinolines. These are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
504755116
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504755116
IUPAC Name
1,2,3,4-tetrahydroquinolin-6-ol
INCHI
InChI=1S/C9H11NO/c11-8-3-4-9-7(6-8)2-1-5-10-9/h3-4,6,10-11H,1-2,5H2
InChIKey
CTJSPUFGQNVJJP-UHFFFAOYSA-N
Smiles
C1CC2=C(C=CC(=C2)O)NC1
Isomeric SMILES
C1CC2=C(C=CC(=C2)O)NC1
Molecular Weight
149.19
Reaxy-Rn
127589
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=127589&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
149.190 g/mol
XLogP3
1.900
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
149.084 Da
Monoisotopic Mass
149.084 Da
Topological Polar Surface Area
32.299 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
138.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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