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2-oxa-5-azabicyclo[2.2.2]octane hemioxalate - 97%, high purity , CAS No.1523606-41-8
Basic Description
Specifications & Purity
≥97%
Storage Temp
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Oxazinanes
Subclass
Morpholines
Intermediate Tree Nodes
Not available
Direct Parent
Morpholines
Alternative Parents
Piperidines Oxanes Dicarboxylic acids and derivatives Oxacyclic compounds Dialkylamines Dialkyl ethers Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Dicarboxylic acid or derivatives - Morpholine - Oxane - Piperidine - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Secondary aliphatic amine - Ether - Secondary amine - Azacycle - Oxacycle - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - 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
Pubchem Sid
504772641
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504772641
IUPAC Name
2-oxa-5-azabicyclo[2.2.2]octane;oxalic acid
INCHI
InChI=1S/2C6H11NO.C2H2O4/c2*1-2-6-3-7-5(1)4-8-6;3-1(4)2(5)6/h2*5-7H,1-4H2;(H,3,4)(H,5,6)
InChIKey
PWHSLHBTQUHNGP-UHFFFAOYSA-N
Smiles
C1CC2COC1CN2.C1CC2COC1CN2.C(=O)(C(=O)O)O
Isomeric SMILES
C1CC2COC1CN2.C1CC2COC1CN2.C(=O)(C(=O)O)O
Molecular Weight
316.35
Reaxy-Rn
31234652
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31234652&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Moisture sensitive
Molecular Weight
316.350 g/mol
XLogP3
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
1
Exact Mass
316.163 Da
Monoisotopic Mass
316.163 Da
Topological Polar Surface Area
117.000 Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
166.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
4
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
3
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E2515408