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3-Methyl-1,2,5,6-tetrahydropyridine hydrochloride , CAS No.1523617-83-5
Discover 3-Methyl-1,2,5,6-tetrahydropyridine hydrochloride by Aladdin Scientific in for only $797.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1523617-83-5 | 5-methyl-1,2,3,6-tetrahydropyridine hydrochloride | 3-Methyl-1,2,5,6-tetrahydropyridine HCl | 3-methyl-1,2,5,6-tetrahydropyridine hydrochloride | 5-methyl-1,2,3,6-tetrahydropyridine;hydrochloride | YKC61783 | MFCD27988116 | AKOS025291342 | SB22743 | AS-34967
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Hydropyridines
Intermediate Tree Nodes
Not available
Direct Parent
Hydropyridines
Alternative Parents
Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Hydropyridine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as hydropyridines. These are compounds containing a hydrogenated pyridine ring (i.e. containing less than the maximum number of double bonds.).
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
5-methyl-1,2,3,6-tetrahydropyridine;hydrochloride
INCHI
InChI=1S/C6H11N.ClH/c1-6-3-2-4-7-5-6;/h3,7H,2,4-5H2,1H3;1H
InChIKey
WBRIYJABBYHGRS-UHFFFAOYSA-N
Smiles
CC1=CCCNC1.Cl
Isomeric SMILES
CC1=CCCNC1.Cl
Molecular Weight
133.62
Reaxy-Rn
55432512
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=55432512&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
133.620 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
133.066 Da
Monoisotopic Mass
133.066 Da
Topological Polar Surface Area
12.000 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
84.200
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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