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4-(oxetan-3-yloxy)aniline - 97%, high purity , CAS No.1349715-80-5
Discover 4-(oxetan-3-yloxy)aniline by Aladdin Scientific in 97% for only $4,285.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4-(Oxetan-3-yloxy)aniline | 1349715-80-5 | 4-(3-Oxetanyloxy)benzenamine | SCHEMBL18037885 | DTXSID301309379 | ZDC71580 | MFCD20233076 | AKOS023557618 | AS-34824 | CS-0051139 | EN300-157822
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Aminophenyl ethers
Intermediate Tree Nodes
Not available
Direct Parent
Aminophenyl ethers
Alternative Parents
Phenoxy compounds Aniline and substituted anilines Alkyl aryl ethers Oxetanes Oxacyclic compounds Dialkyl ethers Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminophenyl ether - Phenoxy compound - Aniline or substituted anilines - Alkyl aryl ether - Monocyclic benzene moiety - Oxetane - Dialkyl ether - Oxacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the benzene ring.
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-(oxetan-3-yloxy)aniline
INCHI
InChI=1S/C9H11NO2/c10-7-1-3-8(4-2-7)12-9-5-11-6-9/h1-4,9H,5-6,10H2
InChIKey
MEEYTJFWCZEPMN-UHFFFAOYSA-N
Smiles
C1C(CO1)OC2=CC=C(C=C2)N
Isomeric SMILES
C1C(CO1)OC2=CC=C(C=C2)N
Molecular Weight
165.192
Reaxy-Rn
29833337
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29833337&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
165.190 g/mol
XLogP3
0.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
165.079 Da
Monoisotopic Mass
165.079 Da
Topological Polar Surface Area
44.500 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
139.000
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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