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5-Bromo-4-heptylpyrimidine - 97%, high purity , CAS No.951884-44-9
Discover 5-Bromo-4-heptylpyrimidine by Aladdin Scientific in 97% for only $413.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
5-Bromo-4-heptylpyrimidine | 951884-44-9 | 5-bromo-4-heptyl-pyrimidine | DTXSID60656901 | BNB88444 | MFCD09800939 | AKOS015834368 | SB59011 | BS-23356 | A845223 | J-517089
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
Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Halopyrimidine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - 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-bromo-4-heptylpyrimidine
INCHI
InChI=1S/C11H17BrN2/c1-2-3-4-5-6-7-11-10(12)8-13-9-14-11/h8-9H,2-7H2,1H3
InChIKey
GXNHVVXVVMYFNR-UHFFFAOYSA-N
Smiles
CCCCCCCC1=NC=NC=C1Br
Isomeric SMILES
CCCCCCCC1=NC=NC=C1Br
PubChem CID
44118595
Molecular Weight
257.2
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
257.170 g/mol
XLogP3
4.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
6
Exact Mass
256.058 Da
Monoisotopic Mass
256.058 Da
Topological Polar Surface Area
25.800 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
141.000
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
1
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