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(5-bromopyrimidin-2-yl)methanamine hydrochloride - 97%, high purity , CAS No.1240594-62-0
Basic Description
Synonyms
(5-Bromopyrimidin-2-yl)methanamine hydrochloride | 1240594-62-0 | (5-bromopyrimidin-2-yl)methanamine hcl | (5-bromopyrimidin-2-yl)methanamine;hydrochloride | MFCD16987897 | 2-Pyrimidinemethanamine, 5-bromo-, hydrochloride (1:1) | SCHEMBL23120999 | AKOS022178530 | SB19923
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Halopyrimidines
Alternative Parents
Aralkylamines Aryl bromides Heteroaromatic compounds Azacyclic compounds Organobromides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Halopyrimidine - Aralkylamine - Aryl bromide - Aryl halide - Heteroaromatic compound - Azacycle - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Primary aliphatic amine - Amine - Hydrocarbon derivative - Organic nitrogen compound - Hydrochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
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-bromopyrimidin-2-yl)methanamine;hydrochloride
INCHI
InChI=1S/C5H6BrN3.ClH/c6-4-2-8-5(1-7)9-3-4;/h2-3H,1,7H2;1H
InChIKey
VSMRUKYRRGAGJI-UHFFFAOYSA-N
Smiles
C1=C(C=NC(=N1)CN)Br.Cl
Isomeric SMILES
C1=C(C=NC(=N1)CN)Br.Cl
PubChem CID
72710399
Molecular Weight
224.486
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
224.480 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
222.951 Da
Monoisotopic Mass
222.951 Da
Topological Polar Surface Area
51.800 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
80.300
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
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
2
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