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4-(4-Bromophenethyl)morpholine - 98%, high purity , CAS No.736991-39-2
Discover 4-(4-Bromophenethyl)morpholine by Aladdin Scientific in 98% for only $1,566.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4-(4-BROMOPHENETHYL)MORPHOLINE | 736991-39-2 | 4-[2-(4-bromophenyl)ethyl]morpholine | SCHEMBL578554 | DTXSID50479308 | NCUTUFSXCVKNAD-UHFFFAOYSA-N | MFCD11855960 | AKOS015835607 | AM87165 | AS-60116 | CS-0157593 | C76352
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenethylamines
Alternative Parents
Bromobenzenes Aralkylamines Morpholines Aryl bromides Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenethylamine - Bromobenzene - Halobenzene - Aralkylamine - Aryl bromide - Aryl halide - Morpholine - Oxazinane - Tertiary aliphatic amine - Tertiary amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.
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
4-[2-(4-bromophenyl)ethyl]morpholine
INCHI
InChI=1S/C12H16BrNO/c13-12-3-1-11(2-4-12)5-6-14-7-9-15-10-8-14/h1-4H,5-10H2
InChIKey
NCUTUFSXCVKNAD-UHFFFAOYSA-N
Smiles
C1COCCN1CCC2=CC=C(C=C2)Br
Isomeric SMILES
C1COCCN1CCC2=CC=C(C=C2)Br
Molecular Weight
270.2
Reaxy-Rn
10002059
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10002059&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
270.170 g/mol
XLogP3
2.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
269.042 Da
Monoisotopic Mass
269.042 Da
Topological Polar Surface Area
12.500 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
174.000
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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