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5-[(2R)-pyrrolidin-2-yl]-2H-1,2,3,4-tetrazole - 97%, high purity , CAS No.702700-79-6
Discover 5-[(2R)-pyrrolidin-2-yl]-2H-1,2,3,4-tetrazole by Aladdin Scientific in 97% for only $184.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
702700-79-6 | (R)-5-(PYRROLIDIN-2-YL)-1H-TETRAZOLE | 5-[(2R)-pyrrolidin-2-yl]-2H-1,2,3,4-tetrazole | 1H-Tetrazole, 5-(2R)-2-pyrrolidinyl- | 5-[(2R)-pyrrolidin-2-yl]-2H-tetrazole | MFCD10000886 | SCHEMBL2994601 | DTXSID20466427 | CDB70079 | AKOS006376229 | AKOS024255828 | (R)-5
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Amines
Intermediate Tree Nodes
Not available
Direct Parent
Aralkylamines
Alternative Parents
Tetrazoles Pyrrolidines Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aralkylamine - Heteroaromatic compound - Tetrazole - Pyrrolidine - Azole - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
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
5-[(2R)-pyrrolidin-2-yl]-2H-tetrazole
INCHI
InChI=1S/C5H9N5/c1-2-4(6-3-1)5-7-9-10-8-5/h4,6H,1-3H2,(H,7,8,9,10)/t4-/m1/s1
InChIKey
XUHYQIQIENDJER-SCSAIBSYSA-N
Smiles
C1CC(NC1)C2=NNN=N2
Isomeric SMILES
C1C[C@@H](NC1)C2=NNN=N2
Molecular Weight
139.1585
Reaxy-Rn
52462407
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=52462407&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
139.160 g/mol
XLogP3
-0.600
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
139.086 Da
Monoisotopic Mass
139.086 Da
Topological Polar Surface Area
66.500 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
117.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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