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8-Oxabicyclo[3.2.1]octan-3-amine hydrochloride - 95%, high purity , CAS No.1630906-33-0
Basic Description
Synonyms
8-Oxabicyclo[3.2.1]octan-3-amine HCl | AKOS025289655 | MFCD28166338 | 8-oxabicyclo[3.2.1]octan-3-aminehydrochloride | AMY19585 | A882736 | 8-Oxabicyclo[3.2.1]octan-3-amine, hydrochloride (1:1) | 1630906-33-0 | SCHEMBL18766042 | 3-Amino-8-oxabicyclo[3.2.1]
Specifications & Purity
≥95%
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
Oxanes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Oxanes
Alternative Parents
Oxolanes Oxacyclic compounds Dialkyl ethers Monoalkylamines Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Oxane - Oxolane - Oxacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five 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.
Names and Identifiers
IUPAC Name
8-oxabicyclo[3.2.1]octan-3-amine;hydrochloride
INCHI
InChI=1S/C7H13NO.ClH/c8-5-3-6-1-2-7(4-5)9-6;/h5-7H,1-4,8H2;1H
InChIKey
DOOCDSPTSKSVLB-UHFFFAOYSA-N
Smiles
C1CC2CC(CC1O2)N.Cl
Isomeric SMILES
C1CC2CC(CC1O2)N.Cl
Molecular Weight
163.64
Reaxy-Rn
31570954
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31570954&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
35.300 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
103.000
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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