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2-oxa-5-azabicyclo[2.2.1]heptane hydrochloride - 97%, high purity , CAS No.909186-56-7
Discover 2-oxa-5-azabicyclo[2.2.1]heptane hydrochloride by Aladdin Scientific in 97% for only $107.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
2-oxa-5-azabicyclo[2.2.1]heptane hydrochloride | 909186-56-7 | 2-OXA-5-AZABICYCLO[2.2.1]HEPTANE HCL | 2-oxa-5-aza-bicyclo[2.2.1]heptane hydrochloride | 2-oxa-5-azabicyclo[2.2.1]heptane;hydrochloride | MFCD07798642 | SCHEMBL16829 | DTXSID40619998 | ZFOKPFPITUUCJX-UHFFFAOY
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Oxazinanes
Subclass
Morpholines
Intermediate Tree Nodes
Not available
Direct Parent
Morpholines
Alternative Parents
Pyrrolidines Oxolanes Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Morpholine - Oxolane - Pyrrolidine - Dialkyl ether - Secondary aliphatic amine - Ether - Secondary amine - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Amine - Hydrochloride - Organic nitrogen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.
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
2-oxa-5-azabicyclo[2.2.1]heptane;hydrochloride
INCHI
InChI=1S/C5H9NO.ClH/c1-4-3-7-5(1)2-6-4;/h4-6H,1-3H2;1H
InChIKey
ZFOKPFPITUUCJX-UHFFFAOYSA-N
Smiles
C1C2CNC1CO2.Cl
Isomeric SMILES
C1C2CNC1CO2.Cl
Molecular Weight
135.592
Reaxy-Rn
14609365
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14609365&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
135.590 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
135.045 Da
Monoisotopic Mass
135.045 Da
Topological Polar Surface Area
21.300 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
84.100
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
2
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
2
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