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8-Bromo-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine , CAS No.1203499-19-7
Basic Description
Synonyms
1203499-19-7 | DTXSID00673652 | 8-Bromo-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine, AldrichCPR | AKOS015835798 | MFCD13176673 | 8-Bromo-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Amines
Intermediate Tree Nodes
Secondary amines
Direct Parent
Secondary alkylarylamines
Alternative Parents
Alkyl aryl ethers Pyridines and derivatives Aryl bromides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl aryl ether - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as secondary alkylarylamines. These are secondary alkylarylamines with the general formula HN(R)R' (R = alkyl, R' = aryl).
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
8-bromo-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine
INCHI
InChI=1S/C7H7BrN2O/c8-5-3-9-4-6-7(5)10-1-2-11-6/h3-4,10H,1-2H2
InChIKey
BHSDVIXRHSRWEI-UHFFFAOYSA-N
Smiles
C1COC2=CN=CC(=C2N1)Br
Isomeric SMILES
C1COC2=CN=CC(=C2N1)Br
WGK Germany
3
Molecular Weight
215.05
Reaxy-Rn
59899401
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=59899401&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
215.050 g/mol
XLogP3
1.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
213.974 Da
Monoisotopic Mass
213.974 Da
Topological Polar Surface Area
34.200 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
144.000
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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