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3-oxa-9-azabicyclo[3.3.1]nonane hydrochloride - 97%, high purity , CAS No.100368-29-4
Discover 3-oxa-9-azabicyclo[3.3.1]nonane hydrochloride by Aladdin Scientific in 97% for only $3,701.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
3-Oxa-9-azabicyclo[3.3.1]nonane hydrochloride | 100368-29-4 | 3-oxa-9-azabicyclo[3.3.1]nonane;hydrochloride | 3-oxa-9-azabicyclo[3.3.1]nonane hcl | 3-Oxa-9-azabicyclo[3.3.1]nonane, hydrochloride (1:1) | MFCD22587935 | SCHEMBL271876 | DTXSID10735492 | CNFLTPZHQBRTRQ-UHFFF
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
Piperidines Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Morpholine - Piperidine - Dialkyl ether - Secondary aliphatic amine - Ether - Secondary amine - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Hydrochloride - Organic nitrogen compound - Hydrocarbon derivative - 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
3-oxa-9-azabicyclo[3.3.1]nonane;hydrochloride
INCHI
InChI=1S/C7H13NO.ClH/c1-2-6-4-9-5-7(3-1)8-6;/h6-8H,1-5H2;1H
InChIKey
CNFLTPZHQBRTRQ-UHFFFAOYSA-N
Smiles
C1CC2COCC(C1)N2.Cl
Isomeric SMILES
C1CC2COCC(C1)N2.Cl
Molecular Weight
163.65
Reaxy-Rn
3680453
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3680453&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
163.640 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
163.076 Da
Monoisotopic Mass
163.076 Da
Topological Polar Surface Area
21.300 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
95.100
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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