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6-azaspiro[2.5]octan-4-ol hydrochloride - 97%, high purity , CAS No.955028-68-9
Basic Description
Synonyms
955028-68-9 | 6-AZASPIRO[2.5]OCTAN-4-OL HYDROCHLORIDE | 6-AZASPIRO[2.5]OCTAN-4-OL HCL | 6-azaspiro[2.5]octan-8-ol;hydrochloride | MFCD21607169 | SCHEMBL736327 | DTXSID70735771 | BKVWWBSIILYIBZ-UHFFFAOYSA-N | AKOS024015504 | PB21076 | PB35894 | SB20652 | AS-36216 | SY033105 | CS-0050
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Piperidines
Alternative Parents
Secondary alcohols 1,2-aminoalcohols Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Piperidine - Secondary alcohol - 1,2-aminoalcohol - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen 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
6-azaspiro[2.5]octan-8-ol;hydrochloride
INCHI
InChI=1S/C7H13NO.ClH/c9-6-5-8-4-3-7(6)1-2-7;/h6,8-9H,1-5H2;1H
InChIKey
BKVWWBSIILYIBZ-UHFFFAOYSA-N
Smiles
C1CC12CCNCC2O.Cl
Isomeric SMILES
C1CC12CCNCC2O.Cl
Molecular Weight
163.65
Reaxy-Rn
45677748
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=45677748&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
163.640 g/mol
XLogP3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
163.076 Da
Monoisotopic Mass
163.076 Da
Topological Polar Surface Area
32.299 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
120.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
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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