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4'-Aminobenzo-15-crown 5-Ether - 97%, high purity , CAS No.60835-71-4
Basic Description
Synonyms
2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-amine | 2,3-(4-Aminobenzo)-1,4,7,10,13-pentaoxacyclopentadec-2-ene | 2,3,5,6,8,9,11,12-OCTAHYDROBENZO[B][1,4,7,10,13]PENTAOXACYCLOPENTADECIN-15-AMINE | 4'-Aminobenzo-15-crown-5 | 4-Aminobenz
Specifications & Purity
≥97%
Storage Temp
Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Ethers
Intermediate Tree Nodes
Not available
Direct Parent
Alkyl aryl ethers
Alternative Parents
Benzenoids Oxacyclic compounds Dialkyl ethers Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl aryl ether - Benzenoid - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
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
504760926
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504760926
IUPAC Name
2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-amine
INCHI
InChI=1S/C14H21NO5/c15-12-1-2-13-14(11-12)20-10-8-18-6-4-16-3-5-17-7-9-19-13/h1-2,11H,3-10,15H2
InChIKey
CQNGAZMLFIMLQN-UHFFFAOYSA-N
Smiles
C1COCCOC2=C(C=C(C=C2)N)OCCOCCO1
Isomeric SMILES
C1COCCOC2=C(C=C(C=C2)N)OCCOCCO1
WGK Germany
3
Molecular Weight
283.32
Beilstein
1587285
Reaxy-Rn
1587285
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1587285&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in water (partly), and chloroform (25 mg/ml).
Sensitivity
Light & Air sensitive
Melt Point(°C)
79°C
Molecular Weight
283.320 g/mol
XLogP3
-0.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
0
Exact Mass
283.142 Da
Monoisotopic Mass
283.142 Da
Topological Polar Surface Area
72.200 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
254.000
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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D2126056