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2-methyl-2,7-diazaspiro[4.4]nonane dihydrochloride - 97%, high purity , CAS No.91188-26-0
Basic Description
Synonyms
91188-26-0 | 2-Methyl-2,7-diazaspiro[4.4]nonane dihydrochloride | 2,7-Diazaspiro[4.4]nonane, 2-methyl-, dihydrochloride | 2-methyl-2,7-diazaspiro[4.4]nonane;dihydrochloride | 2-METHYL-2,7-DIAZASPIRO[4.4]NONANE 2HCL | MFCD13185105 | 2-METHYL-2,7-DIAZASPIRO[4.4]NONANED
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazaspirononane derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Diazaspirononane derivatives
Alternative Parents
N-alkylpyrrolidines Trialkylamines Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Diazaspirononane - N-alkylpyrrolidine - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Amine - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as diazaspirononane derivatives. These are organic heterocyclic compounds that contain a nine-membered saturated bicyclic moiety, consisting of two aliphatic saturated rings in a spiro-configuration, each of which contain a nitrogen atom. The bicyclic moiety is made up of two nitrogen and seven 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
2-methyl-2,7-diazaspiro[4.4]nonane;dihydrochloride
INCHI
InChI=1S/C8H16N2.2ClH/c1-10-5-3-8(7-10)2-4-9-6-8;;/h9H,2-7H2,1H3;2*1H
InChIKey
KTWQBDFIDPFQKG-UHFFFAOYSA-N
Smiles
CN1CCC2(C1)CCNC2.Cl.Cl
Isomeric SMILES
CN1CCC2(C1)CCNC2.Cl.Cl
PubChem CID
13491806
Molecular Weight
213.148
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
213.150 g/mol
XLogP3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
212.085 Da
Monoisotopic Mass
212.085 Da
Topological Polar Surface Area
15.300 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
135.000
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
3
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