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4-methyloxan-4-amine - 97%, high purity , CAS No.693245-65-7
Basic Description
Synonyms
4-METHYLTETRAHYDRO-2H-PYRAN-4-AMINE | 693245-65-7 | 4-methyloxan-4-amine | 4-amino-4-methyltetrahydropyran | MFCD11977350 | 4-methyl-4-oxanamine | 4-AMINO-4-METHYLTETRAHYDRO-4H-PYRAN | SCHEMBL56303 | CHEMBL4556238 | DTXSID50593770 | HECZPOCJWCHBHK-UHFFFAOYSA-N | AMY34985 | AKOS0
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Oxanes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Oxanes
Alternative Parents
Oxacyclic compounds Dialkyl ethers Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Oxane - Oxacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon 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.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
4-methyloxan-4-amine
INCHI
InChI=1S/C6H13NO/c1-6(7)2-4-8-5-3-6/h2-5,7H2,1H3
InChIKey
HECZPOCJWCHBHK-UHFFFAOYSA-N
Smiles
CC1(CCOCC1)N
Isomeric SMILES
CC1(CCOCC1)N
Molecular Weight
115.176
Reaxy-Rn
11463579
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11463579&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
115.170 g/mol
XLogP3
-0.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
115.1 Da
Monoisotopic Mass
115.1 Da
Topological Polar Surface Area
35.300 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
76.600
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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