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4,10-Diaza-15-crown 5-Ether - >97.0%(GC), high purity , CAS No.31249-95-3
Basic Description
Synonyms
MLS000556245 | Oprea1_439104 | FT-0754072 | J-018294 | MFCD00005109 | NSC 339327 | SMR000147562 | T70753 | BBL012316 | 1,7-diaza-15-crown-5 | 1,4,10-Trioxa-7,13-diaza-cyclopentadecane, 97% | A902580 | SCHEMBL1535871 | 1,7,13-Trioxa-4,10-diazacyclopentadec
Specifications & Purity
≥97%(GC)
Storage Temp
Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Amines
Intermediate Tree Nodes
Secondary amines
Direct Parent
Dialkylamines
Alternative Parents
Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Secondary aliphatic amine - Dialkyl ether - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as dialkylamines. These are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen.
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(Human)
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
Pubchem Sid
504756926
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504756926
IUPAC Name
1,4,10-trioxa-7,13-diazacyclopentadecane
INCHI
InChI=1S/C10H22N2O3/c1-5-13-6-2-12-4-8-15-10-9-14-7-3-11-1/h11-12H,1-10H2
InChIKey
STHIZMRUXPMSCW-UHFFFAOYSA-N
Smiles
C1COCCNCCOCCOCCN1
Isomeric SMILES
C1COCCNCCOCCOCCN1
RTECS
YJ9520000
Molecular Weight
218.3
Reaxy-Rn
607391
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=607391&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Hygroscopic
Melt Point(°C)
89 °C
Molecular Weight
218.290 g/mol
XLogP3
-1.300
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
0
Exact Mass
218.163 Da
Monoisotopic Mass
218.163 Da
Topological Polar Surface Area
51.800 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
122.000
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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H2206436