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1-(pyrimidin-4-yl)pyrrolidin-3-amine dihydrochloride - 97%, high purity , CAS No.2098048-58-7
Basic Description
Synonyms
1-(pyrimidin-4-yl)pyrrolidin-3-amine dihydrochloride | 2098048-58-7 | 1-pyrimidin-4-ylpyrrolidin-3-amine | dihydrochloride | YID04858 | MFCD28388721 | AKOS026747989 | PB41831 | SB49785 | AS-79093 | 1-(Pyrimidin-4-yl)pyrrolidin-3-amine diHCl | CS-0052794 |
Specifications & Purity
≥97%
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Amines
Intermediate Tree Nodes
Tertiary amines - Tertiary alkylarylamines
Direct Parent
Dialkylarylamines
Alternative Parents
Aminopyrimidines and derivatives Imidolactams Pyrrolidines Heteroaromatic compounds Azacyclic compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dialkylarylamine - Aminopyrimidine - Imidolactam - Pyrimidine - Heteroaromatic compound - Pyrrolidine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Primary aliphatic amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic 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
1-pyrimidin-4-ylpyrrolidin-3-amine;dihydrochloride
INCHI
InChI=1S/C8H12N4.2ClH/c9-7-2-4-12(5-7)8-1-3-10-6-11-8;;/h1,3,6-7H,2,4-5,9H2;2*1H
InChIKey
KTUKXWZYTZNIRB-UHFFFAOYSA-N
Smiles
C1CN(CC1N)C2=NC=NC=C2.Cl.Cl
Isomeric SMILES
C1CN(CC1N)C2=NC=NC=C2.Cl.Cl
PubChem CID
76451337
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
237.130 g/mol
XLogP3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
236.06 Da
Monoisotopic Mass
236.06 Da
Topological Polar Surface Area
55.000 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
150.000
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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