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4,4-Dimethyl-1,2,3,4-tetrahydroisoquinoline hydrochloride - 95%, high purity , CAS No.41565-86-0
Discover 4,4-Dimethyl-1,2,3,4-tetrahydroisoquinoline hydrochloride by Aladdin Scientific in 95% for only $42.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
41565-86-0 | 4,4-Dimethyl-1,2,3,4-tetrahydroisoquinoline hydrochloride | 4,4-Dimethyl-1,2,3,4-tetrahydroisoquinoline HCl | 4,4-dimethyl-2,3-dihydro-1H-isoquinoline;hydrochloride | 4,4-Dimethyl-1,2,3,4-tetrahydro-isoquinoline hydrochloride | 4,4-Dimethyl-1,2,3,4-tet
Specifications & Purity
≥95%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Tetrahydroisoquinolines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Tetrahydroisoquinolines
Alternative Parents
Aralkylamines Benzenoids Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tetrahydroisoquinoline - Aralkylamine - Benzenoid - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives.
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
IUPAC Name
4,4-dimethyl-2,3-dihydro-1H-isoquinoline;hydrochloride
INCHI
InChI=1S/C11H15N.ClH/c1-11(2)8-12-7-9-5-3-4-6-10(9)11;/h3-6,12H,7-8H2,1-2H3;1H
InChIKey
GKEXKZRMVZSSPD-UHFFFAOYSA-N
Smiles
CC1(CNCC2=CC=CC=C21)C.Cl
Isomeric SMILES
CC1(CNCC2=CC=CC=C21)C.Cl
Molecular Weight
197.7
Reaxy-Rn
5620923
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5620923&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
197.700 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
197.097 Da
Monoisotopic Mass
197.097 Da
Topological Polar Surface Area
12.000 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
162.000
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
2
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