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5-(chloromethyl)pyrimidine hydrochloride - 97%, high purity , CAS No.1337879-54-5
Discover 5-(chloromethyl)pyrimidine hydrochloride by Aladdin Scientific in 97% for only $1,752.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
5-(CHLOROMETHYL)PYRIMIDINE HYDROCHLORIDE | 1337879-54-5 | 5-(Chloromethyl)pyrimidine HCl | 5-(chloromethyl)pyrimidine;hydrochloride | 5-ChloroMethyl-pyriMidine hydrochloride | MFCD19982294 | SCHEMBL17541768 | AKOS016015566 | PB31962 | AS-33433 | SY035908 | CS-0050758 | 5-(CHLORO
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
Pyrimidines and pyrimidine derivatives
Alternative Parents
Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrimidine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidines and pyrimidine derivatives. These are compounds containing a pyrimidne ring, which is a six-member aromatic heterocycle which consists of two nitrogen atoms (at positions 1 and 3) and four 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
5-(chloromethyl)pyrimidine;hydrochloride
INCHI
InChI=1S/C5H5ClN2.ClH/c6-1-5-2-7-4-8-3-5;/h2-4H,1H2;1H
InChIKey
QXJVZEHGCCFJPZ-UHFFFAOYSA-N
Smiles
C1=C(C=NC=N1)CCl.Cl
Isomeric SMILES
C1=C(C=NC=N1)CCl.Cl
PubChem CID
57415795
Molecular Weight
165.021
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
165.020 g/mol
XLogP3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
163.991 Da
Monoisotopic Mass
163.991 Da
Topological Polar Surface Area
25.800 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
61.400
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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