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2-[(oxetan-3-yl)amino]ethan-1-ol - 97%, high purity , CAS No.1343942-75-5
Basic Description
Synonyms
2-(oxetan-3-ylamino)ethanol | 1343942-75-5 | SCHEMBL15862856 | SY151090 | 2-(3-oxetanylamino)ethanol | EN300-125977 | PS-17895 | AKOS012934466 | 2-[(oxetan-3-yl)amino]ethan-1-ol | E72818 | MFCD18849303
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Oxetanes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Oxetanes
Alternative Parents
1,2-aminoalcohols Oxacyclic compounds Dialkylamines Dialkyl ethers Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
1,2-aminoalcohol - Oxetane - Alkanolamine - Dialkyl ether - Oxacycle - Secondary amine - Secondary aliphatic amine - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Amine - Organic oxygen compound - Alcohol - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as oxetanes. These are compounds containing an oxetane ring, which is a four-member saturated aliphatic ring with an oxygen, and three 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
2-(oxetan-3-ylamino)ethanol
INCHI
InChI=1S/C5H11NO2/c7-2-1-6-5-3-8-4-5/h5-7H,1-4H2
InChIKey
OQCWLAMXJVEQDQ-UHFFFAOYSA-N
Smiles
C1C(CO1)NCCO
Isomeric SMILES
C1C(CO1)NCCO
Alternate CAS
1343942-75-5
PubChem CID
63624378
Molecular Weight
117.15
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
117.150 g/mol
XLogP3
-1.200
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
117.079 Da
Monoisotopic Mass
117.079 Da
Topological Polar Surface Area
41.500 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
63.400
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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